CID 85629606

Ns00117015

Structural Information

Molecular Formula
C19H28N4O2S
SMILES
CCNS(=O)(=O)NC1CC2C(CC3=CN(C4=CC=CC2=C34)CC)N(C1)C
InChI
InChI=1S/C19H28N4O2S/c1-4-20-26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-23(17)5-2)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3
InChIKey
HIDIWYKAQSOLPW-UHFFFAOYSA-N
Compound name
4-ethyl-N-(ethylsulfamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.1933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.200576 188.0
[M+Na]+ 399.182518 195.1
[M-H]- 375.186024 190.1
[M+NH4]+ 394.227123 202.9
[M+K]+ 415.156458 189.7
[M+H-H2O]+ 359.190560 180.9
[M+HCOO]- 421.191501 198.4
[M+CH3COO]- 435.207151 196.6
[M+Na-2H]- 397.167966 192.1
[M]+ 376.19275142 191.3
[M]- 376.19384858 191.3
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.