CID 3053833

Brn 1180369

Structural Information

Molecular Formula
C15H15ClN6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(=O)C3=C(N=CC=C3)Cl
InChI
InChI=1S/C15H15ClN6O3/c1-20-12-10(14(24)21(2)15(20)25)22(8-19-12)7-6-18-13(23)9-4-3-5-17-11(9)16/h3-5,8H,6-7H2,1-2H3,(H,18,23)
InChIKey
GRGASMUJBGULIE-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.08942 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09670 182.3
[M+Na]+ 385.07864 195.8
[M-H]- 361.08214 185.3
[M+NH4]+ 380.12324 192.1
[M+K]+ 401.05258 189.0
[M+H-H2O]+ 345.08668 172.0
[M+HCOO]- 407.08762 197.6
[M+CH3COO]- 421.10327 216.3
[M+Na-2H]- 383.06409 185.4
[M]+ 362.08887 190.0
[M]- 362.08997 190.0
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.