CID 9574770

1-phenyl-3-menthenedene iminothiourea

Structural Information

Molecular Formula
C17H25N3S
SMILES
CC1CCC(/C(=N/NC(=S)NC2=CC=CC=C2)/C1)C(C)C
InChI
InChI=1S/C17H25N3S/c1-12(2)15-10-9-13(3)11-16(15)19-20-17(21)18-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H2,18,20,21)/b19-16+
InChIKey
GSYUVPBFNIBZEC-KNTRCKAVSA-N
Compound name
1-[(E)-(5-methyl-2-propan-2-ylcyclohexylidene)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1769 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18418 172.7
[M+Na]+ 326.16612 175.0
[M-H]- 302.16962 179.3
[M+NH4]+ 321.21072 187.8
[M+K]+ 342.14006 170.6
[M+H-H2O]+ 286.17416 164.3
[M+HCOO]- 348.17510 189.2
[M+CH3COO]- 362.19075 213.5
[M+Na-2H]- 324.15157 171.8
[M]+ 303.17635 168.5
[M]- 303.17745 168.5
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.