CID 6867824

1285541-15-2

Structural Information

Molecular Formula
C23H26N4O5
SMILES
CC(C)OC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C23H26N4O5/c1-14(2)32-20-9-7-16(11-22(20)31-5)17-12-18(26-25-17)23(28)27-24-13-15-6-8-19(29-3)21(10-15)30-4/h6-14H,1-5H3,(H,25,26)(H,27,28)/b24-13+
InChIKey
GMKHQWRYJMDOHL-ZMOGYAJESA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)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

438.1903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19758 206.6
[M+Na]+ 461.17952 217.2
[M+NH4]+ 456.22412 210.1
[M+K]+ 477.15346 214.0
[M-H]- 437.18302 210.1
[M+Na-2H]- 459.16497 212.4
[M]+ 438.18975 208.7
[M]- 438.19085 208.7
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.