CID 98264

Camptothecin, acetate

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C
InChI
InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3
InChIKey
ASVIEXKOXDCZDF-UHFFFAOYSA-N
Compound name
(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) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

43
Patents

390.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 190.4
[M+Na]+ 413.11080 201.3
[M-H]- 389.11430 196.1
[M+NH4]+ 408.15540 205.4
[M+K]+ 429.08474 197.0
[M+H-H2O]+ 373.11884 180.8
[M+HCOO]- 435.11978 203.5
[M+CH3COO]- 449.13543 200.6
[M+Na-2H]- 411.09625 194.7
[M]+ 390.12103 195.8
[M]- 390.12213 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.