PubChemLite - C-l-d2c (C17H23ClN4O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC[C@@H]1C[C@@H](C2C1OC(O2)OC)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H23ClN4O4/c1-17(2,3)24-6-9-5-10(13-12(9)25-16(23-4)26-13)22-8-21-11-14(18)19-7-20-15(11)22/h7-10,12-13,16H,5-6H2,1-4H3/t9-,10-,12?,13?,16?/m0/s1

InChIKey

UHUHNLYERYEXBU-YSICIUFASA-N

Compound name

6-chloro-9-[(4S,6S)-2-methoxy-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purine

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]+	383.14806	191.9
[M+Na]+	405.13000	202.2
[M-H]-	381.13350	197.6
[M+NH4]+	400.17460	204.3
[M+K]+	421.10394	200.6
[M+H-H2O]+	365.13804	185.0
[M+HCOO]-	427.13898	201.1
[M+CH3COO]-	441.15463	202.1
[M+Na-2H]-	403.11545	190.4
[M]+	382.14023	200.9
[M]-	382.14133	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.14806

191.9

[M+Na]+

405.13000

202.2

[M-H]-

381.13350

197.6

[M+NH4]+

400.17460

204.3

[M+K]+

421.10394

200.6

[M+H-H2O]+

365.13804

185.0

[M+HCOO]-

427.13898

201.1

[M+CH3COO]-

441.15463

202.1

[M+Na-2H]-

403.11545

190.4

[M]+

382.14023

200.9

[M]-

382.14133

200.9

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

C-l-d2c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe