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

66
Patents

321.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.7
[M+Na]+ 344.13696 181.8
[M-H]- 320.14046 178.9
[M+NH4]+ 339.18156 186.7
[M+K]+ 360.11090 175.7
[M+H-H2O]+ 304.14500 165.8
[M+HCOO]- 366.14594 193.7
[M+CH3COO]- 380.16159 208.6
[M+Na-2H]- 342.12241 180.8
[M]+ 321.14719 174.6
[M]- 321.14829 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.