CID 385080

Nsc676009

Structural Information

Molecular Formula
C17H22N2OS2
SMILES
COCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2
InChI
InChI=1S/C17H22N2OS2/c1-20-9-8-18-14-6-7-17(21-10-11-22-17)16-15(14)12-4-2-3-5-13(12)19-16/h2-5,14,18-19H,6-11H2,1H3
InChIKey
ODXRSRHKEHVMQZ-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)spiro[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

334.11737 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12465 170.2
[M+Na]+ 357.10659 178.8
[M-H]- 333.11009 174.5
[M+NH4]+ 352.15119 191.1
[M+K]+ 373.08053 172.6
[M+H-H2O]+ 317.11463 165.9
[M+HCOO]- 379.11557 179.4
[M+CH3COO]- 393.13122 180.6
[M+Na-2H]- 355.09204 172.5
[M]+ 334.11682 171.7
[M]- 334.11792 171.7
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.