CID 154699849

Ns00117576

Structural Information

Molecular Formula
C11H10N4O4S
SMILES
CC1=CC=CN2C1=NC3=C2N=C(C=C3)NOS(=O)(=O)O
InChI
InChI=1S/C11H10N4O4S/c1-7-3-2-6-15-10(7)12-8-4-5-9(13-11(8)15)14-19-20(16,17)18/h2-6H,1H3,(H,13,14)(H,16,17,18)
InChIKey
OIPHNBSYKGNFRJ-UHFFFAOYSA-N
Compound name
[(10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04227 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04955 161.9
[M+Na]+ 317.03149 174.0
[M+NH4]+ 312.07609 167.9
[M+K]+ 333.00543 169.7
[M-H]- 293.03499 161.4
[M+Na-2H]- 315.01694 166.3
[M]+ 294.04172 163.7
[M]- 294.04282 163.7
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.