CID 3004383

Nsc649419

Structural Information

Molecular Formula
C16H19NS
SMILES
C=CCCCC12CCCC3=C1C(=CC=C3)NC2=S
InChI
InChI=1S/C16H19NS/c1-2-3-4-10-16-11-6-8-12-7-5-9-13(14(12)16)17-15(16)18/h2,5,7,9H,1,3-4,6,8,10-11H2,(H,17,18)
InChIKey
PNAIGANOKJUXNU-UHFFFAOYSA-N
Compound name
2a-pent-4-enyl-1,3,4,5-tetrahydrobenzo[cd]indole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1238 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13108 160.0
[M+Na]+ 280.11302 167.6
[M-H]- 256.11652 161.1
[M+NH4]+ 275.15762 181.8
[M+K]+ 296.08696 160.8
[M+H-H2O]+ 240.12106 154.3
[M+HCOO]- 302.12200 171.1
[M+CH3COO]- 316.13765 170.6
[M+Na-2H]- 278.09847 162.1
[M]+ 257.12325 159.3
[M]- 257.12435 159.3
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.