CID 198909

4-(phenethylamino)quinazoline hydrochloride

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)CCNC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)
InChIKey
YKOSADJQCBRMRR-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

7
Patents

249.1266 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.133876 156.0
[M+Na]+ 272.115818 163.3
[M-H]- 248.119324 160.4
[M+NH4]+ 267.160423 170.7
[M+K]+ 288.089758 157.4
[M+H-H2O]+ 232.123860 146.1
[M+HCOO]- 294.124801 177.8
[M+CH3COO]- 308.140451 167.3
[M+Na-2H]- 270.101266 166.2
[M]+ 249.12605142 155.1
[M]- 249.12714858 155.1
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