CID 45055026

Methyl 4-(2-(((4-propoxybenzoyl)amino)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C21H23N3O5/c1-3-12-29-18-10-8-16(9-11-18)20(26)22-14-19(25)24-23-13-15-4-6-17(7-5-15)21(27)28-2/h4-11,13H,3,12,14H2,1-2H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
QBHXZHSNPPCIFB-YDZHTSKRSA-N
Compound name
methyl 4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.16376 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 194.6
[M+Na]+ 420.15298 197.5
[M-H]- 396.15648 201.8
[M+NH4]+ 415.19758 204.7
[M+K]+ 436.12692 195.6
[M+H-H2O]+ 380.16102 184.2
[M+HCOO]- 442.16196 219.9
[M+CH3COO]- 456.17761 230.4
[M+Na-2H]- 418.13843 195.9
[M]+ 397.16321 198.6
[M]- 397.16431 198.6
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.