CID 202022

Brn 0803760

Structural Information

Molecular Formula
C14H13N5
SMILES
C1=CC=C(C=C1)CC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C14H13N5/c15-12-11-7-10(6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,7-8H,6H2,(H4,15,16,17,18,19)
InChIKey
ZHRXKQFQOVNUIX-UHFFFAOYSA-N
Compound name
6-benzylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

251.1171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 157.8
[M+Na]+ 274.10632 167.2
[M-H]- 250.10982 161.0
[M+NH4]+ 269.15092 170.9
[M+K]+ 290.08026 160.7
[M+H-H2O]+ 234.11436 147.8
[M+HCOO]- 296.11530 178.7
[M+CH3COO]- 310.13095 168.8
[M+Na-2H]- 272.09177 166.2
[M]+ 251.11655 155.1
[M]- 251.11765 155.1
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

patents stripe