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

34
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

literature stripe

Patent stripe

patents stripe