CID 484004

N-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)-2-(2-hydroxyethylamino)acetamide

Structural Information

Molecular Formula
C21H20N4O2S
SMILES
C1=CC=C(C=C1)C2=NN(C3=C2C=C(S3)NC(=O)CNCCO)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O2S/c26-12-11-22-14-18(27)23-19-13-17-20(15-7-3-1-4-8-15)24-25(21(17)28-19)16-9-5-2-6-10-16/h1-10,13,22,26H,11-12,14H2,(H,23,27)
InChIKey
YAKMTHNQTRTPPO-UHFFFAOYSA-N
Compound name
N-(1,3-diphenylthieno[2,3-c]pyrazol-5-yl)-2-(2-hydroxyethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1307 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13798 188.6
[M+Na]+ 415.11992 196.6
[M-H]- 391.12342 196.8
[M+NH4]+ 410.16452 201.3
[M+K]+ 431.09386 190.0
[M+H-H2O]+ 375.12796 180.3
[M+HCOO]- 437.12890 207.8
[M+CH3COO]- 451.14455 198.6
[M+Na-2H]- 413.10537 190.0
[M]+ 392.13015 192.8
[M]- 392.13125 192.8
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.