CID 154700154

Ns00117863

Structural Information

Molecular Formula
C18H19N3O5S
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=C(C=C4)OS(=O)(=O)O
InChI
InChI=1S/C18H19N3O5S/c1-11-19-7-8-21(11)10-12-3-6-15-17(18(12)22)14-5-4-13(26-27(23,24)25)9-16(14)20(15)2/h4-5,7-9,12H,3,6,10H2,1-2H3,(H,23,24,25)
InChIKey
ZUXDHGQACAQLQR-UHFFFAOYSA-N
Compound name
[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-2-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.10455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11183 191.8
[M+Na]+ 412.09377 203.3
[M-H]- 388.09727 197.1
[M+NH4]+ 407.13837 205.4
[M+K]+ 428.06771 198.6
[M+H-H2O]+ 372.10181 185.8
[M+HCOO]- 434.10275 204.0
[M+CH3COO]- 448.11840 215.2
[M+Na-2H]- 410.07922 191.7
[M]+ 389.10400 199.4
[M]- 389.10510 199.4
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.