CID 6888521

634884-78-9

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C/C2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C17H22N4O3/c1-11-15(12(2)20-19-11)6-8-17(22)21-18-10-13-9-14(23-3)5-7-16(13)24-4/h5,7,9-10H,6,8H2,1-4H3,(H,19,20)(H,21,22)/b18-10+
InChIKey
FRODHSDZOAQUQX-VCHYOVAHSA-N
Compound name
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.1692 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17648 178.8
[M+Na]+ 353.15842 185.8
[M-H]- 329.16192 183.4
[M+NH4]+ 348.20302 191.6
[M+K]+ 369.13236 182.2
[M+H-H2O]+ 313.16646 169.3
[M+HCOO]- 375.16740 202.3
[M+CH3COO]- 389.18305 215.1
[M+Na-2H]- 351.14387 179.9
[M]+ 330.16865 182.9
[M]- 330.16975 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.