CID 3006015

Nsc339315

Structural Information

Molecular Formula
C16H20N4S
SMILES
CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCC3
InChI
InChI=1S/C16H20N4S/c1-12(18-19-16(21)20-10-4-5-11-20)14-9-8-13-6-2-3-7-15(13)17-14/h2-3,6-9,12,18H,4-5,10-11H2,1H3,(H,19,21)
InChIKey
MTLLEBUSDCDMEA-UHFFFAOYSA-N
Compound name
N'-(1-quinolin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.14087 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14815 167.8
[M+Na]+ 323.13009 172.6
[M-H]- 299.13359 172.1
[M+NH4]+ 318.17469 182.8
[M+K]+ 339.10403 167.6
[M+H-H2O]+ 283.13813 159.4
[M+HCOO]- 345.13907 182.1
[M+CH3COO]- 359.15472 177.3
[M+Na-2H]- 321.11554 169.4
[M]+ 300.14032 165.1
[M]- 300.14142 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.