CID 136806694

765907-45-7

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C21H22N4O3/c1-2-11-28-17-9-7-15(8-10-17)21(27)23-14-20(26)25-24-13-16-12-22-19-6-4-3-5-18(16)19/h3-10,12-13,22H,2,11,14H2,1H3,(H,23,27)(H,25,26)
InChIKey
SZQQRQZUJSVVHH-UHFFFAOYSA-N
Compound name
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 188.1
[M+Na]+ 401.15842 192.9
[M-H]- 377.16192 194.3
[M+NH4]+ 396.20302 200.0
[M+K]+ 417.13236 188.0
[M+H-H2O]+ 361.16646 178.2
[M+HCOO]- 423.16740 213.0
[M+CH3COO]- 437.18305 224.0
[M+Na-2H]- 399.14387 192.3
[M]+ 378.16865 190.4
[M]- 378.16975 190.4
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.