CID 6448638

1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C/C=C/C(=O)N1C(CC(=O)NC2=CC=CC=C21)C
InChI
InChI=1S/C14H16N2O2/c1-3-6-14(18)16-10(2)9-13(17)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,17)/b6-3+
InChIKey
PBFPNGRDAYNHPS-ZZXKWVIFSA-N
Compound name
5-[(E)-but-2-enoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.2
[M+Na]+ 267.11041 164.0
[M+NH4]+ 262.15501 159.9
[M+K]+ 283.08435 159.7
[M-H]- 243.11391 153.9
[M+Na-2H]- 265.09586 157.5
[M]+ 244.12064 155.3
[M]- 244.12174 155.3
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.