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]+ 422.13868 199.4
[M+Na]+ 444.12062 204.6
[M-H]- 420.12412 208.0
[M+NH4]+ 439.16522 207.7
[M+K]+ 460.09456 193.9
[M+H-H2O]+ 404.12866 192.5
[M+HCOO]- 466.12960 217.4
[M+CH3COO]- 480.14525 220.0
[M+Na-2H]- 442.10607 205.5
[M]+ 421.13085 197.7
[M]- 421.13195 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