CID 9569938

Nsc625894

Structural Information

Molecular Formula
C29H29N3O5
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC(=O)C\2CC(=O)CC/C2=N\NC(=O)C3=CC4=CC=CC=C4C=C3O)C
InChI
InChI=1S/C29H29N3O5/c1-17-7-8-21(13-18(17)2)30-28(36)12-11-26(34)23-16-22(33)9-10-25(23)31-32-29(37)24-14-19-5-3-4-6-20(19)15-27(24)35/h3-8,13-15,23,35H,9-12,16H2,1-2H3,(H,30,36)(H,32,37)/b31-25+
InChIKey
DWOPCJAXIGCQEV-QCKNELIISA-N
Compound name
N-[(E)-[2-[4-(3,4-dimethylanilino)-4-oxobutanoyl]-4-oxocyclohexylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.21072 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.21800 219.4
[M+Na]+ 522.19994 221.1
[M-H]- 498.20344 228.3
[M+NH4]+ 517.24454 225.1
[M+K]+ 538.17388 217.0
[M+H-H2O]+ 482.20798 208.2
[M+HCOO]- 544.20892 236.6
[M+CH3COO]- 558.22457 252.6
[M+Na-2H]- 520.18539 216.9
[M]+ 499.21017 217.1
[M]- 499.21127 217.1
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.