CID 103322

65208-16-4

Structural Information

Molecular Formula
C47H80N2O4
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C47H80N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-48(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47(51)44-41-45(49(52)53)42-37-33-34-38-43(42)46(44)50/h33-34,37-38,41,50H,3-32,35-36,39-40H2,1-2H3
InChIKey
BZOKRYKBBHMPEQ-UHFFFAOYSA-N
Compound name
1-hydroxy-4-nitro-N,N-dioctadecylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

736.6118 Da
Monoisotopic Mass

20.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.61908 290.5
[M+Na]+ 759.60102 291.4
[M+NH4]+ 754.64562 269.8
[M+K]+ 775.57496 294.7
[M-H]- 735.60452 282.7
[M+Na-2H]- 757.58647 276.2
[M]+ 736.61125 288.9
[M]- 736.61235 288.9
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