CID 3048695

Brn 0646495

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CN1C=NNC2=C(C1=O)C=C(C=C2)OC
InChI
InChI=1S/C10H11N3O2/c1-13-6-11-12-9-4-3-7(15-2)5-8(9)10(13)14/h3-6,12H,1-2H3
InChIKey
FBCQHRYHRMFSSY-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-1H-1,2,4-benzotriazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 141.3
[M+Na]+ 228.07435 150.1
[M-H]- 204.07785 142.4
[M+NH4]+ 223.11895 156.2
[M+K]+ 244.04829 151.1
[M+H-H2O]+ 188.08239 133.2
[M+HCOO]- 250.08333 158.7
[M+CH3COO]- 264.09898 153.1
[M+Na-2H]- 226.05980 148.3
[M]+ 205.08458 139.0
[M]- 205.08568 139.0
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.