CID 6450566

Acetamide, 2-(7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-ylidene)-

Structural Information

Molecular Formula
C17H13ClFN3O
SMILES
C1/C(=C\C(=O)N)/NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C17H13ClFN3O/c18-10-5-6-15-13(7-10)17(12-3-1-2-4-14(12)19)21-9-11(22-15)8-16(20)23/h1-8,22H,9H2,(H2,20,23)/b11-8+
InChIKey
ZLLXTPLKYYAUJA-DHZHZOJOSA-N
Compound name
(2E)-2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.07312 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.080396 172.2
[M+Na]+ 352.062338 181.3
[M-H]- 328.065844 175.4
[M+NH4]+ 347.106943 183.9
[M+K]+ 368.036278 178.2
[M+H-H2O]+ 312.070380 163.0
[M+HCOO]- 374.071321 184.4
[M+CH3COO]- 388.086971 181.7
[M+Na-2H]- 350.047786 174.9
[M]+ 329.07257142 166.8
[M]- 329.07366858 166.8
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.