CID 3006029

Nsc345708

Structural Information

Molecular Formula
C12H18N4S
SMILES
CC(C1=CC=CC=N1)NNC(=S)N2CCCC2
InChI
InChI=1S/C12H18N4S/c1-10(11-6-2-3-7-13-11)14-15-12(17)16-8-4-5-9-16/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,17)
InChIKey
ZCDWZDMHBQILLA-UHFFFAOYSA-N
Compound name
N'-(1-pyridin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.12521 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13249 156.8
[M+Na]+ 273.11443 161.0
[M-H]- 249.11793 160.3
[M+NH4]+ 268.15903 172.7
[M+K]+ 289.08837 157.5
[M+H-H2O]+ 233.12247 148.2
[M+HCOO]- 295.12341 172.4
[M+CH3COO]- 309.13906 195.0
[M+Na-2H]- 271.09988 157.4
[M]+ 250.12466 153.2
[M]- 250.12576 153.2
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.