CID 484003

Ethyl n-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)carbamate

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CCOC(=O)NC1=CC2=C(S1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3O2S/c1-2-25-20(24)21-17-13-16-18(14-9-5-3-6-10-14)22-23(19(16)26-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,24)
InChIKey
YOUWRXVPWWLADH-UHFFFAOYSA-N
Compound name
ethyl N-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10416 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 184.7
[M+Na]+ 386.09338 194.8
[M-H]- 362.09688 194.6
[M+NH4]+ 381.13798 199.7
[M+K]+ 402.06732 189.1
[M+H-H2O]+ 346.10142 176.5
[M+HCOO]- 408.10236 204.6
[M+CH3COO]- 422.11801 196.3
[M+Na-2H]- 384.07883 185.3
[M]+ 363.10361 190.8
[M]- 363.10471 190.8
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.