CID 10454368

Ky-382

Structural Information

Molecular Formula
C19H32N4O4S
SMILES
CCOCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)NS(=O)(=O)N)C
InChI
InChI=1S/C19H32N4O4S/c1-7-27-11-10-23-9-8-14-12(2)15(22-28(20,25)26)13(3)16(17(14)23)21-18(24)19(4,5)6/h22H,7-11H2,1-6H3,(H,21,24)(H2,20,25,26)
InChIKey
PXCNVWWWTVXCME-UHFFFAOYSA-N
Compound name
N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylamino)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

412.21442 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22170 199.6
[M+Na]+ 435.20364 204.8
[M-H]- 411.20714 202.0
[M+NH4]+ 430.24824 211.6
[M+K]+ 451.17758 201.5
[M+H-H2O]+ 395.21168 193.2
[M+HCOO]- 457.21262 212.6
[M+CH3COO]- 471.22827 232.7
[M+Na-2H]- 433.18909 199.6
[M]+ 412.21387 204.3
[M]- 412.21497 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe