CID 6080447

Nsc636998

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC1=CC2=C(C=C1C)N=CC(C(=O)N2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O2/c1-13-10-16-17(11-14(13)2)23-20(25)18(12-21-16)22-19(24)9-8-15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,22,24)(H,23,25)/b9-8+
InChIKey
AVJOPEFEVYSOOB-CMDGGOBGSA-N
Compound name
(E)-N-(7,8-dimethyl-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

333.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 180.8
[M+Na]+ 356.13696 187.2
[M-H]- 332.14046 185.8
[M+NH4]+ 351.18156 191.5
[M+K]+ 372.11090 185.7
[M+H-H2O]+ 316.14500 171.9
[M+HCOO]- 378.14594 198.0
[M+CH3COO]- 392.16159 189.8
[M+Na-2H]- 354.12241 183.6
[M]+ 333.14719 176.5
[M]- 333.14829 176.5
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.