CID 1142445

306959-01-3

Structural Information

Molecular Formula
C24H21N5O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5
InChI
InChI=1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30)
InChIKey
WIEJADKUYLLKPX-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

443.1416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14888 204.7
[M+Na]+ 466.13082 220.8
[M+NH4]+ 461.17542 211.2
[M+K]+ 482.10476 216.8
[M-H]- 442.13432 211.3
[M+Na-2H]- 464.11627 213.8
[M]+ 443.14105 209.5
[M]- 443.14215 209.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe