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
1
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]+ 377.20058 188.0
[M+Na]+ 399.18252 195.1
[M-H]- 375.18602 190.1
[M+NH4]+ 394.22712 202.9
[M+K]+ 415.15646 189.7
[M+H-H2O]+ 359.19056 180.9
[M+HCOO]- 421.19150 198.4
[M+CH3COO]- 435.20715 196.6
[M+Na-2H]- 397.16797 192.1
[M]+ 376.19275 191.3
[M]- 376.19385 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.