CID 1534284

74051-62-0

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H22N4O2S/c1-4-26-17-12-10-15(11-13-17)21-20(27)22-18-14(2)23(3)24(19(18)25)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H2,21,22,27)
InChIKey
ZEBLBWMBHATOQZ-UHFFFAOYSA-N
Compound name
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15364 191.6
[M+Na]+ 405.13558 200.1
[M-H]- 381.13908 199.9
[M+NH4]+ 400.18018 202.9
[M+K]+ 421.10952 193.5
[M+H-H2O]+ 365.14362 182.0
[M+HCOO]- 427.14456 210.3
[M+CH3COO]- 441.16021 222.6
[M+Na-2H]- 403.12103 190.5
[M]+ 382.14581 195.6
[M]- 382.14691 195.6
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.