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 185.1
[M+Na]+ 393.10888 193.2
[M-H]- 369.11238 189.8
[M+NH4]+ 388.15348 194.6
[M+K]+ 409.08282 192.2
[M+H-H2O]+ 353.11692 174.4
[M+HCOO]- 415.11786 197.4
[M+CH3COO]- 429.13351 194.0
[M+Na-2H]- 391.09433 187.7
[M]+ 370.11911 185.0
[M]- 370.12021 185.0
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.