CID 5342889

N-[(z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1h-pyrazol-4-yl)propanamide

Structural Information

Molecular Formula
C18H24N4O3
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C(\C)/C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H24N4O3/c1-11(14-6-8-16(24-4)17(10-14)25-5)19-22-18(23)9-7-15-12(2)20-21-13(15)3/h6,8,10H,7,9H2,1-5H3,(H,20,21)(H,22,23)/b19-11+
InChIKey
ZYTCTFLTUOIOIK-YBFXNURJSA-N
Compound name
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 183.6
[M+Na]+ 367.17406 189.9
[M-H]- 343.17756 188.3
[M+NH4]+ 362.21866 195.8
[M+K]+ 383.14800 186.7
[M+H-H2O]+ 327.18210 174.1
[M+HCOO]- 389.18304 205.9
[M+CH3COO]- 403.19869 219.0
[M+Na-2H]- 365.15951 183.1
[M]+ 344.18429 187.5
[M]- 344.18539 187.5
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.