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: 1
Patents: 265.13275 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.140026	163.7
[M+Na]+	288.121968	173.6
[M-H]-	264.125474	167.1
[M+NH4]+	283.166573	176.5
[M+K]+	304.095908	166.9
[M+H-H2O]+	248.130010	153.7
[M+HCOO]-	310.130951	184.2
[M+CH3COO]-	324.146601	174.6
[M+Na-2H]-	286.107416	170.6
[M]+	265.13220142	161.8
[M]-	265.13329858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe