CID 385079

Nsc676008

Structural Information

Molecular Formula
C25H28N2O3S2
SMILES
COC(CN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5)OC
InChI
InChI=1S/C25H28N2O3S2/c1-29-21(30-2)16-27(24(28)17-8-4-3-5-9-17)20-12-13-25(31-14-15-32-25)23-22(20)18-10-6-7-11-19(18)26-23/h3-11,20-21,26H,12-16H2,1-2H3
InChIKey
ZGZRZHZYXTTWLH-UHFFFAOYSA-N
Compound name
N-(2,2-dimethoxyethyl)-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

468.15414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.16142 207.2
[M+Na]+ 491.14336 212.1
[M-H]- 467.14686 214.9
[M+NH4]+ 486.18796 222.0
[M+K]+ 507.11730 207.6
[M+H-H2O]+ 451.15140 201.3
[M+HCOO]- 513.15234 213.9
[M+CH3COO]- 527.16799 214.7
[M+Na-2H]- 489.12881 206.5
[M]+ 468.15359 210.7
[M]- 468.15469 210.7
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.