CID 6869180

634896-76-7

Structural Information

Molecular Formula
C23H20N4O2S
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CS4
InChI
InChI=1S/C23H20N4O2S/c1-16-4-6-17(7-5-16)15-29-19-10-8-18(9-11-19)21-13-22(26-25-21)23(28)27-24-14-20-3-2-12-30-20/h2-14H,15H2,1H3,(H,25,26)(H,27,28)/b24-14+
InChIKey
YEFOVSJSAMPIRR-ZVHZXABRSA-N
Compound name
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1307 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13798 198.4
[M+Na]+ 439.11992 211.5
[M+NH4]+ 434.16452 205.1
[M+K]+ 455.09386 205.0
[M-H]- 415.12342 205.7
[M+Na-2H]- 437.10537 209.0
[M]+ 416.13015 202.7
[M]- 416.13125 202.7
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.