CID 3048702

Brn 0660256

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CN1C(=O)C2=CC=CC=C2NN=C1C(=O)N
InChI
InChI=1S/C10H10N4O2/c1-14-9(8(11)15)13-12-7-5-3-2-4-6(7)10(14)16/h2-5,12H,1H3,(H2,11,15)
InChIKey
SOKWZFZNAVZOFT-UHFFFAOYSA-N
Compound name
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

218.08037 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 145.5
[M+Na]+ 241.069588 153.5
[M-H]- 217.073094 146.4
[M+NH4]+ 236.114193 159.2
[M+K]+ 257.043528 154.6
[M+H-H2O]+ 201.077630 137.0
[M+HCOO]- 263.078571 162.6
[M+CH3COO]- 277.094221 190.4
[M+Na-2H]- 239.055036 150.8
[M]+ 218.07982142 140.4
[M]- 218.08091858 140.4
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.