CID 3048703

Brn 0677988

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]+ 275.15025 161.0
[M+Na]+ 297.13219 167.7
[M-H]- 273.13569 163.2
[M+NH4]+ 292.17679 173.6
[M+K]+ 313.10613 169.4
[M+H-H2O]+ 257.14023 151.8
[M+HCOO]- 319.14117 178.0
[M+CH3COO]- 333.15682 204.7
[M+Na-2H]- 295.11764 164.9
[M]+ 274.14242 159.3
[M]- 274.14352 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.