CID 484005

1-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)-3-(p-tolyl)urea

Structural Information

Molecular Formula
C25H20N4OS
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(S2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H20N4OS/c1-17-12-14-19(15-13-17)26-25(30)27-22-16-21-23(18-8-4-2-5-9-18)28-29(24(21)31-22)20-10-6-3-7-11-20/h2-16H,1H3,(H2,26,27,30)
InChIKey
SSJRGIROLLRNFL-UHFFFAOYSA-N
Compound name
1-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.13577 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14305 199.2
[M+Na]+ 447.12499 208.5
[M-H]- 423.12849 212.1
[M+NH4]+ 442.16959 211.1
[M+K]+ 463.09893 200.8
[M+H-H2O]+ 407.13303 190.0
[M+HCOO]- 469.13397 219.5
[M+CH3COO]- 483.14962 209.5
[M+Na-2H]- 445.11044 200.1
[M]+ 424.13522 203.0
[M]- 424.13632 203.0
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.