CID 683248

39263-82-6

Structural Information

Molecular Formula
C14H19N3S
SMILES
C1CCCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N3S/c18-13-15-14(10-6-1-2-7-11-14)16-17(13)12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,15,18)
InChIKey
ZSEZANMTGPZRIF-UHFFFAOYSA-N
Compound name
2-phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.12997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13725 162.9
[M+Na]+ 284.11919 166.9
[M-H]- 260.12269 165.2
[M+NH4]+ 279.16379 177.1
[M+K]+ 300.09313 163.9
[M+H-H2O]+ 244.12723 153.4
[M+HCOO]- 306.12817 170.5
[M+CH3COO]- 320.14382 170.8
[M+Na-2H]- 282.10464 161.8
[M]+ 261.12942 151.4
[M]- 261.13052 151.4
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.