CID 9631538

1-(2-(((4-propoxybenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C31H29N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C31H29N3O5/c1-3-18-38-25-15-12-23(13-16-25)30(36)32-20-29(35)34-33-19-27-26-7-5-4-6-22(26)14-17-28(27)39-31(37)24-10-8-21(2)9-11-24/h4-17,19H,3,18,20H2,1-2H3,(H,32,36)(H,34,35)/b33-19+
InChIKey
HOKFMAXWQNJUBO-HNSNBQBZSA-N
Compound name
[1-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.2107 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.21798 228.2
[M+Na]+ 546.19992 230.1
[M-H]- 522.20342 238.5
[M+NH4]+ 541.24452 233.2
[M+K]+ 562.17386 226.3
[M+H-H2O]+ 506.20796 215.3
[M+HCOO]- 568.20890 250.2
[M+CH3COO]- 582.22455 256.0
[M+Na-2H]- 544.18537 229.0
[M]+ 523.21015 231.9
[M]- 523.21125 231.9
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.