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 156.9
[M+Na]+ 274.10632 172.1
[M+NH4]+ 269.15092 164.9
[M+K]+ 290.08026 164.4
[M-H]- 250.10982 161.9
[M+Na-2H]- 272.09177 166.4
[M]+ 251.11655 160.5
[M]- 251.11765 160.5
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

patents stripe