CID 209915

20739-16-6

Structural Information

Molecular Formula
C15H15N5
SMILES
CC1=CC=C(C=C1)CC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C15H15N5/c1-9-2-4-10(5-3-9)6-11-7-12-13(16)19-15(17)20-14(12)18-8-11/h2-5,7-8H,6H2,1H3,(H4,16,17,18,19,20)
InChIKey
CFLSAJLFPXCBOV-UHFFFAOYSA-N
Compound name
6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.13275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 163.7
[M+Na]+ 288.12197 173.6
[M-H]- 264.12547 167.1
[M+NH4]+ 283.16657 176.5
[M+K]+ 304.09591 166.9
[M+H-H2O]+ 248.13001 153.7
[M+HCOO]- 310.13095 184.2
[M+CH3COO]- 324.14660 174.6
[M+Na-2H]- 286.10742 170.6
[M]+ 265.13220 161.8
[M]- 265.13330 161.8
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