CID 154699947

Ns00117665

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
CC1=CC2=C(NC3=CC=CC=C32)N=C1NOS(=O)(=O)O
InChI
InChI=1S/C12H11N3O4S/c1-7-6-9-8-4-2-3-5-10(8)13-12(9)14-11(7)15-19-20(16,17)18/h2-6H,1H3,(H2,13,14,15)(H,16,17,18)
InChIKey
SEHPJJKSFDOKGR-UHFFFAOYSA-N
Compound name
[(3-methyl-9H-pyrido[2,3-b]indol-2-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.04703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05431 160.9
[M+Na]+ 316.03625 172.2
[M-H]- 292.03975 162.5
[M+NH4]+ 311.08085 176.9
[M+K]+ 332.01019 167.2
[M+H-H2O]+ 276.04429 155.2
[M+HCOO]- 338.04523 176.3
[M+CH3COO]- 352.06088 195.4
[M+Na-2H]- 314.02170 168.7
[M]+ 293.04648 166.0
[M]- 293.04758 166.0
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.