CID 385078

Nsc676007

Structural Information

Molecular Formula
C20H26N2O3S2
SMILES
CC(=O)N(CC(OC)OC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2
InChI
InChI=1S/C20H26N2O3S2/c1-13(23)22(12-17(24-2)25-3)16-8-9-20(26-10-11-27-20)19-18(16)14-6-4-5-7-15(14)21-19/h4-7,16-17,21H,8-12H2,1-3H3
InChIKey
BUBJVDFCKSCMCQ-UHFFFAOYSA-N
Compound name
N-(2,2-dimethoxyethyl)-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

406.1385 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14578 192.4
[M+Na]+ 429.12772 198.0
[M-H]- 405.13122 197.3
[M+NH4]+ 424.17232 210.2
[M+K]+ 445.10166 194.6
[M+H-H2O]+ 389.13576 187.8
[M+HCOO]- 451.13670 199.0
[M+CH3COO]- 465.15235 201.0
[M+Na-2H]- 427.11317 191.7
[M]+ 406.13795 196.7
[M]- 406.13905 196.7
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.