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: 36
Patents: 251.1171 Da
Monoisotopic Mass: 2.0
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]+	252.124376	157.8
[M+Na]+	274.106318	167.2
[M-H]-	250.109824	161.0
[M+NH4]+	269.150923	170.9
[M+K]+	290.080258	160.7
[M+H-H2O]+	234.114360	147.8
[M+HCOO]-	296.115301	178.7
[M+CH3COO]-	310.130951	168.8
[M+Na-2H]-	272.091766	166.2
[M]+	251.11655142	155.1
[M]-	251.11764858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe