CID 3060444

1h-indole-3-acetic acid, 2-methyl-, 2-((2,4-dimethoxyphenyl)methyl)hydrazide

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNCC3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C20H23N3O3/c1-13-17(16-6-4-5-7-18(16)22-13)11-20(24)23-21-12-14-8-9-15(25-2)10-19(14)26-3/h4-10,21-22H,11-12H2,1-3H3,(H,23,24)
InChIKey
OWYDUNLWCVLJRH-UHFFFAOYSA-N
Compound name
N'-[(2,4-dimethoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 183.3
[M+Na]+ 376.16317 190.5
[M-H]- 352.16667 189.0
[M+NH4]+ 371.20777 196.7
[M+K]+ 392.13711 185.5
[M+H-H2O]+ 336.17121 174.4
[M+HCOO]- 398.17215 206.6
[M+CH3COO]- 412.18780 217.9
[M+Na-2H]- 374.14862 186.4
[M]+ 353.17340 187.1
[M]- 353.17450 187.1
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.