CID 135566764

Me0328

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
InChIKey
QIHBWVVVRYYYRO-ZDUSSCGKSA-N
Compound name
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

70
Patents

321.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 175.7
[M+Na]+ 344.136958 181.8
[M-H]- 320.140464 178.9
[M+NH4]+ 339.181563 186.7
[M+K]+ 360.110898 175.7
[M+H-H2O]+ 304.145000 165.8
[M+HCOO]- 366.145941 193.7
[M+CH3COO]- 380.161591 208.6
[M+Na-2H]- 342.122406 180.8
[M]+ 321.14719142 174.6
[M]- 321.14828858 174.6
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