CID 11963499

N-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide

Structural Information

Molecular Formula
C19H27N3O3S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)CCS
InChI
InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)
InChIKey
XPCVYJATJSZGJU-UHFFFAOYSA-N
Compound name
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]-3-sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.14938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15666 193.3
[M+Na]+ 432.13860 196.7
[M-H]- 408.14210 196.8
[M+NH4]+ 427.18320 204.9
[M+K]+ 448.11254 191.4
[M+H-H2O]+ 392.14664 184.8
[M+HCOO]- 454.14758 204.9
[M+CH3COO]- 468.16323 231.3
[M+Na-2H]- 430.12405 196.1
[M]+ 409.14883 198.9
[M]- 409.14993 198.9
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.