CID 6889209

303106-22-1

Structural Information

Molecular Formula
C22H24N4O4
SMILES
CC(C)OC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC)OC
InChI
InChI=1S/C22H24N4O4/c1-14(2)30-20-9-8-16(11-21(20)29-4)18-12-19(25-24-18)22(27)26-23-13-15-6-5-7-17(10-15)28-3/h5-14H,1-4H3,(H,24,25)(H,26,27)/b23-13+
InChIKey
TZTAOUZFLIVDLZ-YDZHTSKRSA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(3-methoxy-4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17975 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18703 199.2
[M+Na]+ 431.16897 210.2
[M+NH4]+ 426.21357 203.5
[M+K]+ 447.14291 206.4
[M-H]- 407.17247 203.1
[M+Na-2H]- 429.15442 205.9
[M]+ 408.17920 201.5
[M]- 408.18030 201.5
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.