CID 468255

5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one

Structural Information

Molecular Formula
C11H9N3O
SMILES
C1C2=CC=CC=C2NC(=O)C3=NC=CN31
InChI
InChI=1S/C11H9N3O/c15-11-10-12-5-6-14(10)7-8-3-1-2-4-9(8)13-11/h1-6H,7H2,(H,13,15)
InChIKey
WGPAXZJDNHGVQX-UHFFFAOYSA-N
Compound name
5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

199.07455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 140.9
[M+Na]+ 222.06377 150.1
[M-H]- 198.06727 143.0
[M+NH4]+ 217.10837 158.4
[M+K]+ 238.03771 148.5
[M+H-H2O]+ 182.07181 133.1
[M+HCOO]- 244.07275 158.5
[M+CH3COO]- 258.08840 152.8
[M+Na-2H]- 220.04922 148.0
[M]+ 199.07400 136.8
[M]- 199.07510 136.8
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.