CID 5833785

Nsc632238

Structural Information

Molecular Formula
C31H37N3O4
SMILES
CCCCCC/C(=N/NC(=O)C1=C(C2=CC=CC=C2C=C1)O)/CC(=O)CCC(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C31H37N3O4/c1-2-3-4-8-14-25(22-26(35)17-19-29(36)32-21-20-23-11-6-5-7-12-23)33-34-31(38)28-18-16-24-13-9-10-15-27(24)30(28)37/h5-7,9-13,15-16,18,37H,2-4,8,14,17,19-22H2,1H3,(H,32,36)(H,34,38)/b33-25-
InChIKey
QHFXLZUKKOVVET-IVQJCJPDSA-N
Compound name
N-[(Z)-[1,4-dioxo-1-(2-phenylethylamino)dodecan-6-ylidene]amino]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.2784 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.28568 229.7
[M+Na]+ 538.26762 228.3
[M-H]- 514.27112 234.3
[M+NH4]+ 533.31222 234.5
[M+K]+ 554.24156 223.5
[M+H-H2O]+ 498.27566 218.2
[M+HCOO]- 560.27660 248.1
[M+CH3COO]- 574.29225 254.4
[M+Na-2H]- 536.25307 227.8
[M]+ 515.27785 231.8
[M]- 515.27895 231.8
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.