CID 6450567

Brn 5125777

Structural Information

Molecular Formula
C18H15ClFN3O
SMILES
CNC(=O)/C=C/1\CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C18H15ClFN3O/c1-21-17(24)9-12-10-22-18(13-4-2-3-5-15(13)20)14-8-11(19)6-7-16(14)23-12/h2-9,23H,10H2,1H3,(H,21,24)/b12-9+
InChIKey
JODMVMCGAIIFET-FMIVXFBMSA-N
Compound name
(2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08878 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09606 174.1
[M+Na]+ 366.07800 186.0
[M+NH4]+ 361.12260 180.1
[M+K]+ 382.05194 179.6
[M-H]- 342.08150 176.0
[M+Na-2H]- 364.06345 180.4
[M]+ 343.08823 176.5
[M]- 343.08933 176.5
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.