CID 388460

Nsc683390

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1CC(=O)NC2=NC3=CC=CC=C3N2C1
InChI
InChI=1S/C11H11N3O/c15-10-6-3-7-14-9-5-2-1-4-8(9)12-11(14)13-10/h1-2,4-5H,3,6-7H2,(H,12,13,15)
InChIKey
RRCRGXFNOJMAKX-UHFFFAOYSA-N
Compound name
1,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 141.2
[M+Na]+ 224.07943 150.5
[M-H]- 200.08293 143.3
[M+NH4]+ 219.12403 158.8
[M+K]+ 240.05337 148.9
[M+H-H2O]+ 184.08747 133.4
[M+HCOO]- 246.08841 158.8
[M+CH3COO]- 260.10406 153.2
[M+Na-2H]- 222.06488 148.3
[M]+ 201.08966 137.2
[M]- 201.09076 137.2
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.