CID 5772850

Nsc631672

Structural Information

Molecular Formula
C27H29N3O4
SMILES
CC/C(=N/NC(=O)C1=CC2=CC=CC=C2C=C1O)/CC(=O)CCC(=O)NC3=CC(=C(C=C3)C)C
InChI
InChI=1S/C27H29N3O4/c1-4-21(16-23(31)11-12-26(33)28-22-10-9-17(2)18(3)13-22)29-30-27(34)24-14-19-7-5-6-8-20(19)15-25(24)32/h5-10,13-15,32H,4,11-12,16H2,1-3H3,(H,28,33)(H,30,34)/b29-21-
InChIKey
WVZDLPNODPFGSL-ANYBSYGZSA-N
Compound name
N-[(Z)-[8-(3,4-dimethylanilino)-5,8-dioxooctan-3-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.21582 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.22310 213.6
[M+Na]+ 482.20504 216.1
[M-H]- 458.20854 220.1
[M+NH4]+ 477.24964 221.5
[M+K]+ 498.17898 212.2
[M+H-H2O]+ 442.21308 203.4
[M+HCOO]- 504.21402 233.5
[M+CH3COO]- 518.22967 245.7
[M+Na-2H]- 480.19049 212.2
[M]+ 459.21527 215.4
[M]- 459.21637 215.4
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.