CID 6447100

2-(7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4-benzodiazepin-2-ylidene)acetamide

Structural Information

Molecular Formula
C18H16ClN3O
SMILES
CN1/C(=C/C(=O)N)/CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H16ClN3O/c1-22-14(10-17(20)23)11-21-18(12-5-3-2-4-6-12)15-9-13(19)7-8-16(15)22/h2-10H,11H2,1H3,(H2,20,23)/b14-10+
InChIKey
OBVBSLBPEHFWDI-GXDHUFHOSA-N
Compound name
(2E)-2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10546 174.8
[M+Na]+ 348.08740 188.0
[M+NH4]+ 343.13200 181.7
[M+K]+ 364.06134 181.1
[M-H]- 324.09090 178.5
[M+Na-2H]- 346.07285 181.7
[M]+ 325.09763 178.0
[M]- 325.09873 178.0
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.