CID 3867910

4-bromo-n-dodecyl-1-hydroxy-2-naphthalenecarboxamide

Structural Information

Molecular Formula
C23H32BrNO2
SMILES
CCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)Br)O
InChI
InChI=1S/C23H32BrNO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27)
InChIKey
CGGGGQNSARMICB-UHFFFAOYSA-N
Compound name
4-bromo-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

433.16165 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16893 203.1
[M+Na]+ 456.15087 209.6
[M-H]- 432.15437 206.9
[M+NH4]+ 451.19547 216.9
[M+K]+ 472.12481 195.2
[M+H-H2O]+ 416.15891 200.2
[M+HCOO]- 478.15985 219.0
[M+CH3COO]- 492.17550 227.3
[M+Na-2H]- 454.13632 204.0
[M]+ 433.16110 224.5
[M]- 433.16220 224.5
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

patents stripe