CID 5277344

[3-(cyclohexylmethylamino)phenyl]thiourea

Structural Information

Molecular Formula
C14H21N3S
SMILES
C1CCC(CC1)CNC2=CC(=CC=C2)NC(=S)N
InChI
InChI=1S/C14H21N3S/c15-14(18)17-13-8-4-7-12(9-13)16-10-11-5-2-1-3-6-11/h4,7-9,11,16H,1-3,5-6,10H2,(H3,15,17,18)
InChIKey
WZPYLKIQUPYFAN-UHFFFAOYSA-N
Compound name
[3-(cyclohexylmethylamino)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.14563 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15291 158.5
[M+Na]+ 286.13485 160.8
[M-H]- 262.13835 163.2
[M+NH4]+ 281.17945 173.9
[M+K]+ 302.10879 155.8
[M+H-H2O]+ 246.14289 150.6
[M+HCOO]- 308.14383 174.9
[M+CH3COO]- 322.15948 201.6
[M+Na-2H]- 284.12030 159.7
[M]+ 263.14508 151.5
[M]- 263.14618 151.5
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