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]+ 219.08765 145.5
[M+Na]+ 241.06959 153.5
[M-H]- 217.07309 146.4
[M+NH4]+ 236.11419 159.2
[M+K]+ 257.04353 154.6
[M+H-H2O]+ 201.07763 137.0
[M+HCOO]- 263.07857 162.6
[M+CH3COO]- 277.09422 190.4
[M+Na-2H]- 239.05504 150.8
[M]+ 218.07982 140.4
[M]- 218.08092 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.