CID 9630788

1-(2-((decanoylamino)acetyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H37N3O5
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C31H37N3O5/c1-3-4-5-6-7-8-9-14-29(35)32-22-30(36)34-33-21-27-26-13-11-10-12-23(26)17-20-28(27)39-31(37)24-15-18-25(38-2)19-16-24/h10-13,15-21H,3-9,14,22H2,1-2H3,(H,32,35)(H,34,36)/b33-21+
InChIKey
VAVRVVFVJHZMGE-QNKGDIEWSA-N
Compound name
[1-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.2733 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.28058 233.2
[M+Na]+ 554.26252 233.4
[M-H]- 530.26602 239.6
[M+NH4]+ 549.30712 238.4
[M+K]+ 570.23646 229.5
[M+H-H2O]+ 514.27056 221.1
[M+HCOO]- 576.27150 254.3
[M+CH3COO]- 590.28715 258.5
[M+Na-2H]- 552.24797 232.3
[M]+ 531.27275 239.4
[M]- 531.27385 239.4
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.