CID 3006021

Ujlpldgegpirig-uhfffaoysa-n

Structural Information

Molecular Formula
C20H26N4S
SMILES
CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CC4CCC(C3)CC4
InChI
InChI=1S/C20H26N4S/c1-14(18-11-10-17-4-2-3-5-19(17)21-18)22-23-20(25)24-12-15-6-7-16(13-24)9-8-15/h2-5,10-11,14-16,22H,6-9,12-13H2,1H3,(H,23,25)
InChIKey
UJLPLDGEGPIRIG-UHFFFAOYSA-N
Compound name
N'-(1-quinolin-2-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1878 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19508 185.2
[M+Na]+ 377.17702 190.6
[M-H]- 353.18052 186.6
[M+NH4]+ 372.22162 199.6
[M+K]+ 393.15096 187.4
[M+H-H2O]+ 337.18506 182.7
[M+HCOO]- 399.18600 189.6
[M+CH3COO]- 413.20165 191.2
[M+Na-2H]- 375.16247 192.5
[M]+ 354.18725 183.4
[M]- 354.18835 183.4
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.