CID 11989321

2-(3-chlorophenyl)-n4-(4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

Molecular Formula
C18H13ClN6
SMILES
C1=CC(=CC(=C1)Cl)C2=NC3=C(C=CC(=N3)N)C(=N2)NC4=CC=NC=C4
InChI
InChI=1S/C18H13ClN6/c19-12-3-1-2-11(10-12)16-24-17(22-13-6-8-21-9-7-13)14-4-5-15(20)23-18(14)25-16/h1-10H,(H3,20,21,22,23,24,25)
InChIKey
VADKSVPYVXYBKN-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.08902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09630 180.9
[M+Na]+ 371.07824 191.1
[M-H]- 347.08174 185.7
[M+NH4]+ 366.12284 189.1
[M+K]+ 387.05218 181.8
[M+H-H2O]+ 331.08628 168.6
[M+HCOO]- 393.08722 195.8
[M+CH3COO]- 407.10287 190.1
[M+Na-2H]- 369.06369 189.4
[M]+ 348.08847 180.9
[M]- 348.08957 180.9
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.