CID 472909

Chembl309966

Structural Information

Molecular Formula
C16H17ClN6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC=CC=C3Cl)N)N
InChI
InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-6-4-3-5-11(12)17)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
QMVOOQAFYQMKFM-UHFFFAOYSA-N
Compound name
6-[(2-chloro-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.12033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12761 179.0
[M+Na]+ 351.10955 189.1
[M-H]- 327.11305 183.6
[M+NH4]+ 346.15415 190.6
[M+K]+ 367.08349 182.5
[M+H-H2O]+ 311.11759 168.9
[M+HCOO]- 373.11853 196.0
[M+CH3COO]- 387.13418 189.2
[M+Na-2H]- 349.09500 183.9
[M]+ 328.11978 180.6
[M]- 328.12088 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.