CID 270938

Nsc114115

Structural Information

Molecular Formula
C14H12ClN5
SMILES
CC1=CN=C2C(=CC(=NC2=N1)N)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12ClN5/c1-8-7-17-13-11(6-12(16)20-14(13)18-8)19-10-4-2-9(15)3-5-10/h2-7H,1H3,(H3,16,18,19,20)
InChIKey
PTBNIUYZSCLVSA-UHFFFAOYSA-N
Compound name
8-N-(4-chlorophenyl)-3-methylpyrido[2,3-b]pyrazine-6,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08540 164.7
[M+Na]+ 308.06734 175.6
[M-H]- 284.07084 168.3
[M+NH4]+ 303.11194 177.8
[M+K]+ 324.04128 168.2
[M+H-H2O]+ 268.07538 155.1
[M+HCOO]- 330.07632 181.5
[M+CH3COO]- 344.09197 175.8
[M+Na-2H]- 306.05279 172.6
[M]+ 285.07757 165.5
[M]- 285.07867 165.5
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.