CID 275982

22158-45-8

Structural Information

Molecular Formula
C23H33NO3
SMILES
CCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=O)C1=O)O
InChI
InChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-24-20-21(25)18-15-12-13-16-19(18)22(26)23(20)27/h12-13,15-16,24-25H,2-11,14,17H2,1H3
InChIKey
YNVFXRPOQVZMEB-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(tridecylamino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.253306 193.5
[M+Na]+ 394.235248 197.8
[M-H]- 370.238754 195.1
[M+NH4]+ 389.279853 206.2
[M+K]+ 410.209188 191.8
[M+H-H2O]+ 354.243290 185.4
[M+HCOO]- 416.244231 212.1
[M+CH3COO]- 430.259881 222.9
[M+Na-2H]- 392.220696 193.7
[M]+ 371.24548142 197.5
[M]- 371.24657858 197.5
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.