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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 161.8
[M+Na]+ 286.131458 169.2
[M-H]- 262.134964 166.5
[M+NH4]+ 281.176063 176.2
[M+K]+ 302.105398 163.7
[M+H-H2O]+ 246.139500 152.0
[M+HCOO]- 308.140441 182.2
[M+CH3COO]- 322.156091 172.8
[M+Na-2H]- 284.116906 169.5
[M]+ 263.14169142 161.0
[M]- 263.14278858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe