CID 9639509

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C30H27N3O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C30H27N3O5/c1-2-3-19-37-24-17-13-23(14-18-24)30(36)38-25-15-11-21(12-16-25)20-31-33-29(35)28(34)32-27-10-6-8-22-7-4-5-9-26(22)27/h4-18,20H,2-3,19H2,1H3,(H,32,34)(H,33,35)/b31-20+
InChIKey
CVGHEUMHGZYEMX-AJBULDERSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.19507 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.20235 223.1
[M+Na]+ 532.18429 224.8
[M-H]- 508.18779 233.3
[M+NH4]+ 527.22889 228.5
[M+K]+ 548.15823 221.0
[M+H-H2O]+ 492.19233 210.3
[M+HCOO]- 554.19327 245.6
[M+CH3COO]- 568.20892 251.2
[M+Na-2H]- 530.16974 225.2
[M]+ 509.19452 226.0
[M]- 509.19562 226.0
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.