CID 3057585

74051-61-9

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CC1=CC(=NC(=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C19H21N5OS/c1-12-10-13(2)20-16(11-12)21-19(26)22-17-14(3)23(4)24(18(17)25)15-8-6-5-7-9-15/h5-11H,1-4H3,(H2,20,21,22,26)
InChIKey
FBGPIEADKJHTQI-UHFFFAOYSA-N
Compound name
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4,6-dimethylpyridin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15395 189.1
[M+Na]+ 390.13589 199.3
[M-H]- 366.13939 196.7
[M+NH4]+ 385.18049 200.2
[M+K]+ 406.10983 191.9
[M+H-H2O]+ 350.14393 179.6
[M+HCOO]- 412.14487 206.6
[M+CH3COO]- 426.16052 199.4
[M+Na-2H]- 388.12134 187.5
[M]+ 367.14612 192.4
[M]- 367.14722 192.4
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.