CID 3048715

1h-1,2,4-benzotriazepine-3-carboxamide, 4,5-dihydro-7-chloro-n,n-diethyl-5-oxo-4-phenyl-

Structural Information

Molecular Formula
C19H19ClN4O2
SMILES
CCN(CC)C(=O)C1=NNC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C19H19ClN4O2/c1-3-23(4-2)19(26)17-22-21-16-11-10-13(20)12-15(16)18(25)24(17)14-8-6-5-7-9-14/h5-12,21H,3-4H2,1-2H3
InChIKey
LZOBFTGVPKRQCX-UHFFFAOYSA-N
Compound name
7-chloro-N,N-diethyl-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.11966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12694 184.6
[M+Na]+ 393.10888 196.9
[M+NH4]+ 388.15348 190.1
[M+K]+ 409.08282 191.2
[M-H]- 369.11238 187.1
[M+Na-2H]- 391.09433 190.6
[M]+ 370.11911 187.3
[M]- 370.12021 187.3
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.