CID 882669

74051-60-8

Structural Information

Molecular Formula
C18H24N4OS
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3CCCCC3
InChI
InChI=1S/C18H24N4OS/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H2,19,20,24)
InChIKey
VDYXFDIIMXPTKE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17436 181.9
[M+Na]+ 367.15630 187.7
[M-H]- 343.15980 188.9
[M+NH4]+ 362.20090 194.4
[M+K]+ 383.13024 181.6
[M+H-H2O]+ 327.16434 172.7
[M+HCOO]- 389.16528 196.9
[M+CH3COO]- 403.18093 191.1
[M+Na-2H]- 365.14175 179.5
[M]+ 344.16653 179.4
[M]- 344.16763 179.4
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.