CID 218055

Nsc 156251

Structural Information

Molecular Formula

C₁₆H₁₇N₅

SMILES

CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C16H17N5/c1-21(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(17)20-16(18)19-14/h2-9H,10H2,1H3,(H4,17,18,19,20)

InChIKey

OBKKXWYAQMXLEN-UHFFFAOYSA-N

Compound name

6-N-benzyl-6-N-methylquinazoline-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 279.1484 Da
Monoisotopic Mass: 2.6
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]+	280.155676	164.8
[M+Na]+	302.137618	172.5
[M-H]-	278.141124	170.5
[M+NH4]+	297.182223	178.4
[M+K]+	318.111558	167.5
[M+H-H2O]+	262.145660	154.8
[M+HCOO]-	324.146601	188.0
[M+CH3COO]-	338.162251	175.8
[M+Na-2H]-	300.123066	172.0
[M]+	279.14785142	162.9
[M]-	279.14894858	162.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.