CID 385076

Nsc676005

Structural Information

Molecular Formula
C24H26N2O2S2
SMILES
COCCN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H26N2O2S2/c1-28-14-13-26(23(27)17-7-3-2-4-8-17)20-11-12-24(29-15-16-30-24)22-21(20)18-9-5-6-10-19(18)25-22/h2-10,20,25H,11-16H2,1H3
InChIKey
LLMJEIVNXZCLQJ-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.15088 200.0
[M+Na]+ 461.13282 206.4
[M-H]- 437.13632 208.0
[M+NH4]+ 456.17742 216.4
[M+K]+ 477.10676 200.7
[M+H-H2O]+ 421.14086 194.1
[M+HCOO]- 483.14180 208.1
[M+CH3COO]- 497.15745 208.4
[M+Na-2H]- 459.11827 200.0
[M]+ 438.14305 202.5
[M]- 438.14415 202.5
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.