CID 51060482

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

Structural Information

Molecular Formula
C28H29N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C28H29N3O6/c1-3-16-36-24-14-12-21(13-15-24)27(33)29-18-26(32)31-30-17-23-6-4-5-7-25(23)37-19-20-8-10-22(11-9-20)28(34)35-2/h4-15,17H,3,16,18-19H2,1-2H3,(H,29,33)(H,31,32)/b30-17+
InChIKey
XBVNQKKHMRYHNK-OCSSWDANSA-N
Compound name
methyl 4-[[2-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.20563 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.21291 222.1
[M+Na]+ 526.19485 223.3
[M-H]- 502.19835 231.7
[M+NH4]+ 521.23945 227.1
[M+K]+ 542.16879 220.9
[M+H-H2O]+ 486.20289 209.5
[M+HCOO]- 548.20383 246.0
[M+CH3COO]- 562.21948 250.4
[M+Na-2H]- 524.18030 222.1
[M]+ 503.20508 227.3
[M]- 503.20618 227.3
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.