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]+ 409.187026 197.5
[M+Na]+ 431.168968 202.8
[M-H]- 407.172474 205.1
[M+NH4]+ 426.213573 206.1
[M+K]+ 447.142908 199.0
[M+H-H2O]+ 391.177010 186.4
[M+HCOO]- 453.177951 219.7
[M+CH3COO]- 467.193601 229.0
[M+Na-2H]- 429.154416 197.5
[M]+ 408.17920142 201.5
[M]- 408.18029858 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.