CID 3048703

63931-82-8

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCN(CC)C(=O)C1=NNC2=CC=CC=C2C(=O)N1C
InChI
InChI=1S/C14H18N4O2/c1-4-18(5-2)14(20)12-16-15-11-9-7-6-8-10(11)13(19)17(12)3/h6-9,15H,4-5H2,1-3H3
InChIKey
JGAQXXYALJLZSS-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 161.0
[M+Na]+ 297.132188 167.7
[M-H]- 273.135694 163.2
[M+NH4]+ 292.176793 173.6
[M+K]+ 313.106128 169.4
[M+H-H2O]+ 257.140230 151.8
[M+HCOO]- 319.141171 178.0
[M+CH3COO]- 333.156821 204.7
[M+Na-2H]- 295.117636 164.9
[M]+ 274.14242142 159.3
[M]- 274.14351858 159.3
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.