CID 3085942

73263-35-1

Structural Information

Molecular Formula
C34H31N7O4
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC(=O)C2=CC=CC=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=C(C=C5)[N+](=O)[O-])OC
InChI
InChI=1S/C34H31N7O4/c1-4-40(5-2)32-21-30(35-34(42)23-11-7-6-8-12-23)31(22-33(32)45-3)39-38-29-20-19-28(26-13-9-10-14-27(26)29)37-36-24-15-17-25(18-16-24)41(43)44/h6-22H,4-5H2,1-3H3,(H,35,42)
InChIKey
VFUPVQIVFQNYAG-UHFFFAOYSA-N
Compound name
N-[5-(diethylamino)-4-methoxy-2-[[4-[(4-nitrophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.2438 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.25108 244.1
[M+Na]+ 624.23302 243.5
[M-H]- 600.23652 261.1
[M+NH4]+ 619.27762 245.8
[M+K]+ 640.20696 237.5
[M+H-H2O]+ 584.24106 231.5
[M+HCOO]- 646.24200 274.2
[M+CH3COO]- 660.25765 280.6
[M+Na-2H]- 622.21847 250.7
[M]+ 601.24325 247.0
[M]- 601.24435 247.0
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.