CID 2807425

Chembl569146

Structural Information

Molecular Formula
C12H11N5O2
SMILES
CN(C)C(=O)OC1=CC2=C(C=C1)N=NC3=CC=NN32
InChI
InChI=1S/C12H11N5O2/c1-16(2)12(18)19-8-3-4-9-10(7-8)17-11(15-14-9)5-6-13-17/h3-7H,1-2H3
InChIKey
CBEHDZXCPSGRMU-UHFFFAOYSA-N
Compound name
pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

257.09128 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.098556 155.5
[M+Na]+ 280.080498 166.4
[M-H]- 256.084004 158.1
[M+NH4]+ 275.125103 171.3
[M+K]+ 296.054438 163.7
[M+H-H2O]+ 240.088540 146.0
[M+HCOO]- 302.089481 176.7
[M+CH3COO]- 316.105131 168.0
[M+Na-2H]- 278.065946 163.9
[M]+ 257.09073142 160.9
[M]- 257.09182858 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.