PubChemLite - Camptothecin phosphate (C20H17N2O7P)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OP(=O)(O)O

InChI

InChI=1S/C20H17N2O7P/c1-2-20(29-30(25,26)27)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-28-19(20)24/h3-8H,2,9-10H2,1H3,(H2,25,26,27)/t20-/m0/s1

InChIKey

PRAQDADSDVOMGA-FQEVSTJZSA-N

Compound name

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] dihydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	429.08461	196.6
[M+Na]+	451.06655	205.8
[M-H]-	427.07005	198.6
[M+NH4]+	446.11115	208.7
[M+K]+	467.04049	203.2
[M+H-H2O]+	411.07459	185.8
[M+HCOO]-	473.07553	211.5
[M+CH3COO]-	487.09118	224.7
[M+Na-2H]-	449.05200	200.7
[M]+	428.07678	201.2
[M]-	428.07788	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.08461

196.6

[M+Na]+

451.06655

205.8

[M-H]-

427.07005

198.6

[M+NH4]+

446.11115

208.7

[M+K]+

467.04049

203.2

[M+H-H2O]+

411.07459

185.8

[M+HCOO]-

473.07553

211.5

[M+CH3COO]-

487.09118

224.7

[M+Na-2H]-

449.05200

200.7

[M]+

428.07678

201.2

[M]-

428.07788

201.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Camptothecin phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe