CID 5388125

Nsc632026

Structural Information

Molecular Formula
C33H35N3O4
SMILES
CCCCN(CCCC)C(=O)/C(=N/NC(=O)C1=CC2=CC=CC=C2C=C1O)/CC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C33H35N3O4/c1-3-5-18-36(19-6-4-2)33(40)29(22-31(38)27-17-11-15-23-12-9-10-16-26(23)27)34-35-32(39)28-20-24-13-7-8-14-25(24)21-30(28)37/h7-17,20-21,37H,3-6,18-19,22H2,1-2H3,(H,35,39)/b34-29+
InChIKey
FDLFVZXEYNUZQG-RIHQVDFKSA-N
Compound name
N-[(E)-[1-(dibutylamino)-4-naphthalen-1-yl-1,4-dioxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.26276 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.27004 234.2
[M+Na]+ 560.25198 234.7
[M-H]- 536.25548 241.6
[M+NH4]+ 555.29658 239.5
[M+K]+ 576.22592 230.7
[M+H-H2O]+ 520.26002 222.1
[M+HCOO]- 582.26096 253.0
[M+CH3COO]- 596.27661 261.8
[M+Na-2H]- 558.23743 233.9
[M]+ 537.26221 238.4
[M]- 537.26331 238.4
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.