CID 385075

Nsc676004

Structural Information

Molecular Formula
C19H24N2O2S2
SMILES
CC(=O)N(CCOC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2
InChI
InChI=1S/C19H24N2O2S2/c1-13(22)21(9-10-23-2)16-7-8-19(24-11-12-25-19)18-17(16)14-5-3-4-6-15(14)20-18/h3-6,16,20H,7-12H2,1-2H3
InChIKey
KJHPNNIYKNSSCW-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.12793 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13521 184.9
[M+Na]+ 399.11715 191.9
[M-H]- 375.12065 190.1
[M+NH4]+ 394.16175 204.3
[M+K]+ 415.09109 187.4
[M+H-H2O]+ 359.12519 180.3
[M+HCOO]- 421.12613 192.8
[M+CH3COO]- 435.14178 194.4
[M+Na-2H]- 397.10260 184.9
[M]+ 376.12738 188.1
[M]- 376.12848 188.1
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

No patent data available for this compound.