CID 135641898

634884-75-6

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CCOC1=CC=CC(=C1O)/C=N/NC(=O)CCC2=C(NN=C2C)C
InChI
InChI=1S/C17H22N4O3/c1-4-24-15-7-5-6-13(17(15)23)10-18-21-16(22)9-8-14-11(2)19-20-12(14)3/h5-7,10,23H,4,8-9H2,1-3H3,(H,19,20)(H,21,22)/b18-10+
InChIKey
LITVKEOBYMDJKP-VCHYOVAHSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 179.0
[M+Na]+ 353.15842 185.6
[M-H]- 329.16192 182.3
[M+NH4]+ 348.20302 191.1
[M+K]+ 369.13236 181.2
[M+H-H2O]+ 313.16646 169.8
[M+HCOO]- 375.16740 201.0
[M+CH3COO]- 389.18305 212.8
[M+Na-2H]- 351.14387 179.6
[M]+ 330.16865 181.2
[M]- 330.16975 181.2
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.