CID 154699527

Ns00117290

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 390.111826 191.8
[M+Na]+ 412.093768 203.3
[M-H]- 388.097274 197.1
[M+NH4]+ 407.138373 205.4
[M+K]+ 428.067708 198.6
[M+H-H2O]+ 372.101810 185.8
[M+HCOO]- 434.102751 204.0
[M+CH3COO]- 448.118401 215.2
[M+Na-2H]- 410.079216 191.7
[M]+ 389.10400142 199.4
[M]- 389.10509858 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.