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]+ 372.25331 193.5
[M+Na]+ 394.23525 197.8
[M-H]- 370.23875 195.1
[M+NH4]+ 389.27985 206.2
[M+K]+ 410.20919 191.8
[M+H-H2O]+ 354.24329 185.4
[M+HCOO]- 416.24423 212.1
[M+CH3COO]- 430.25988 222.9
[M+Na-2H]- 392.22070 193.7
[M]+ 371.24548 197.5
[M]- 371.24658 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.