CID 5468191

Nsc665917

Structural Information

Molecular Formula
C11H17N5S
SMILES
CC(C1=NN=CC=C1)NNC(=S)N2CCCC2
InChI
InChI=1S/C11H17N5S/c1-9(10-5-4-6-12-14-10)13-15-11(17)16-7-2-3-8-16/h4-6,9,13H,2-3,7-8H2,1H3,(H,15,17)
InChIKey
DJDXBVMBBMELRK-UHFFFAOYSA-N
Compound name
N'-(1-pyridazin-3-ylethyl)pyrrolidine-1-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.12047 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12775 156.0
[M+Na]+ 274.10969 160.7
[M-H]- 250.11319 158.3
[M+NH4]+ 269.15429 170.5
[M+K]+ 290.08363 157.2
[M+H-H2O]+ 234.11773 146.8
[M+HCOO]- 296.11867 170.7
[M+CH3COO]- 310.13432 194.8
[M+Na-2H]- 272.09514 157.1
[M]+ 251.11992 152.5
[M]- 251.12102 152.5
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.