CID 5929472

Nsc382961

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2C=NC3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H15N3O2/c22-17(11-10-13-6-2-1-3-7-13)20-16-12-19-14-8-4-5-9-15(14)21-18(16)23/h1-12,16H,(H,20,22)(H,21,23)/b11-10+
InChIKey
LSUDSJYYPAHXFJ-ZHACJKMWSA-N
Compound name
(E)-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 171.5
[M+Na]+ 328.10564 176.9
[M-H]- 304.10914 176.0
[M+NH4]+ 323.15024 182.6
[M+K]+ 344.07958 175.5
[M+H-H2O]+ 288.11368 162.6
[M+HCOO]- 350.11462 189.3
[M+CH3COO]- 364.13027 180.6
[M+Na-2H]- 326.09109 176.7
[M]+ 305.11587 165.8
[M]- 305.11697 165.8
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.