CID 5277343

Thiourea, [3-methyl-4-(1-piperidinyl)phenyl]-

Structural Information

Molecular Formula
C13H19N3S
SMILES
CC1=C(C=CC(=C1)NC(=S)N)N2CCCCC2
InChI
InChI=1S/C13H19N3S/c1-10-9-11(15-13(14)17)5-6-12(10)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H3,14,15,17)
InChIKey
NVYVWHZBRGWOSH-UHFFFAOYSA-N
Compound name
(3-methyl-4-piperidin-1-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.12997 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13725 156.5
[M+Na]+ 272.11919 161.1
[M-H]- 248.12269 160.5
[M+NH4]+ 267.16379 171.9
[M+K]+ 288.09313 156.2
[M+H-H2O]+ 232.12723 148.6
[M+HCOO]- 294.12817 171.0
[M+CH3COO]- 308.14382 197.2
[M+Na-2H]- 270.10464 156.8
[M]+ 249.12942 150.8
[M]- 249.13052 150.8
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

patents stripe