CID 3005349

74051-63-1

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20N4O2S/c1-13-17(18(24)23(22(13)2)15-7-5-4-6-8-15)21-19(26)20-14-9-11-16(25-3)12-10-14/h4-12H,1-3H3,(H2,20,21,26)
InChIKey
LITBNHAVTPKJAD-UHFFFAOYSA-N
Compound name
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1307 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 187.7
[M+Na]+ 391.11992 200.6
[M+NH4]+ 386.16452 194.2
[M+K]+ 407.09386 193.5
[M-H]- 367.12342 193.2
[M+Na-2H]- 389.10537 195.6
[M]+ 368.13015 191.4
[M]- 368.13125 191.4
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.