CID 3048710

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

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCN(CC)C(=O)C1=NNC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C19H20N4O2/c1-3-22(4-2)19(25)17-21-20-16-13-9-8-12-15(16)18(24)23(17)14-10-6-5-7-11-14/h5-13,20H,3-4H2,1-2H3
InChIKey
XKKLWAGTTMQVJB-UHFFFAOYSA-N
Compound name
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

336.15863 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.7
[M+Na]+ 359.14785 190.8
[M+NH4]+ 354.19245 184.9
[M+K]+ 375.12179 185.8
[M-H]- 335.15135 182.0
[M+Na-2H]- 357.13330 185.8
[M]+ 336.15808 181.8
[M]- 336.15918 181.8
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.