CID 3005185

Nsc680337

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1/C(=C/O)/C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C11H9NO3/c13-6-7-5-10(14)12-9-4-2-1-3-8(9)11(7)15/h1-4,6,13H,5H2,(H,12,14)/b7-6-
InChIKey
VKHQEKWKODCSOB-SREVYHEPSA-N
Compound name
(4Z)-4-(hydroxymethylidene)-1H-1-benzazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 138.7
[M+Na]+ 226.04746 145.8
[M-H]- 202.05096 140.9
[M+NH4]+ 221.09206 155.4
[M+K]+ 242.02140 146.0
[M+H-H2O]+ 186.05550 133.7
[M+HCOO]- 248.05644 156.1
[M+CH3COO]- 262.07209 181.4
[M+Na-2H]- 224.03291 144.0
[M]+ 203.05769 132.6
[M]- 203.05879 132.6
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.