CID 3062367

Fluoro-8 phenyl-6 tetrahydro-2,3,5,6 1h-imidazo(2,1-b)benzodiazepine-1,3 one-3 chlorhydrate

Structural Information

Molecular Formula
C17H14FN3O
SMILES
C1C(C2=C(C=CC(=C2)F)NC3=NCC(=O)N31)C4=CC=CC=C4
InChI
InChI=1S/C17H14FN3O/c18-12-6-7-15-13(8-12)14(11-4-2-1-3-5-11)10-21-16(22)9-19-17(21)20-15/h1-8,14H,9-10H2,(H,19,20)
InChIKey
UGOYUSVZNSZOSA-UHFFFAOYSA-N
Compound name
8-fluoro-6-phenyl-2,5,6,11-tetrahydroimidazo[2,1-b][1,3]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1121 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11938 167.1
[M+Na]+ 318.10132 176.0
[M-H]- 294.10482 170.9
[M+NH4]+ 313.14592 180.9
[M+K]+ 334.07526 172.3
[M+H-H2O]+ 278.10936 157.3
[M+HCOO]- 340.11030 181.6
[M+CH3COO]- 354.12595 177.0
[M+Na-2H]- 316.08677 170.2
[M]+ 295.11155 161.1
[M]- 295.11265 161.1
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.