CID 719252

71028-42-7

Structural Information

Molecular Formula

C₁₇H₁₇N₃

SMILES

CC(C)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3/c1-12(2)18-17-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,20)

InChIKey

AJPDOANEIRXSQK-UHFFFAOYSA-N

Compound name

2-phenyl-N-propan-2-ylquinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 263.14224 Da
Monoisotopic Mass: 4.6
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]+	264.14952	161.8
[M+Na]+	286.13146	169.2
[M-H]-	262.13496	166.5
[M+NH4]+	281.17606	176.2
[M+K]+	302.10540	163.7
[M+H-H2O]+	246.13950	152.0
[M+HCOO]-	308.14044	182.2
[M+CH3COO]-	322.15609	172.8
[M+Na-2H]-	284.11691	169.5
[M]+	263.14169	161.0
[M]-	263.14279	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe