CID 3637246

1,1'-(3-nitrobenzylidene)di(2-naphthol)

Structural Information

Molecular Formula
C27H19NO4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=CC5=CC=CC=C54)O)O
InChI
InChI=1S/C27H19NO4/c29-23-14-12-17-6-1-3-10-21(17)26(23)25(19-8-5-9-20(16-19)28(31)32)27-22-11-4-2-7-18(22)13-15-24(27)30/h1-16,25,29-30H
InChIKey
RVPIGGWFZMQISA-UHFFFAOYSA-N
Compound name
1-[(2-hydroxynaphthalen-1-yl)-(3-nitrophenyl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

421.1314 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.138676 199.4
[M+Na]+ 444.120618 204.6
[M-H]- 420.124124 208.0
[M+NH4]+ 439.165223 207.7
[M+K]+ 460.094558 193.9
[M+H-H2O]+ 404.128660 192.5
[M+HCOO]- 466.129601 217.4
[M+CH3COO]- 480.145251 220.0
[M+Na-2H]- 442.106066 205.5
[M]+ 421.13085142 197.7
[M]- 421.13194858 197.7
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

patents stripe