CID 5488302

Harmol sulfate

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OS(=O)(=O)O
InChI
InChI=1S/C12H10N2O4S/c1-7-12-10(4-5-13-7)9-3-2-8(6-11(9)14-12)18-19(15,16)17/h2-6,14H,1H3,(H,15,16,17)
InChIKey
XOPVDDSGVTVABP-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

278.03613 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 159.0
[M+Na]+ 301.02535 172.0
[M+NH4]+ 296.06995 165.9
[M+K]+ 316.99929 166.9
[M-H]- 277.02885 158.5
[M+Na-2H]- 299.01080 163.3
[M]+ 278.03558 161.1
[M]- 278.03668 161.1
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.