CID 384058

Nsc673182

Structural Information

Molecular Formula
C18H24N2S2
SMILES
CCCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2
InChI
InChI=1S/C18H24N2S2/c1-2-3-10-19-15-8-9-18(21-11-12-22-18)17-16(15)13-6-4-5-7-14(13)20-17/h4-7,15,19-20H,2-3,8-12H2,1H3
InChIKey
NIXHDTOXNDROPU-UHFFFAOYSA-N
Compound name
N-butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1381 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14538 171.0
[M+Na]+ 355.12732 179.4
[M-H]- 331.13082 175.1
[M+NH4]+ 350.17192 192.0
[M+K]+ 371.10126 172.4
[M+H-H2O]+ 315.13536 166.4
[M+HCOO]- 377.13630 179.7
[M+CH3COO]- 391.15195 181.2
[M+Na-2H]- 353.11277 172.4
[M]+ 332.13755 171.4
[M]- 332.13865 171.4
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.