CID 3062453

N-dodecyl-3,4-dihydroxybenzamide

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-20-19(23)16-12-13-17(21)18(22)15-16/h12-13,15,21-22H,2-11,14H2,1H3,(H,20,23)
InChIKey
KEIMHRWVTAIFCA-UHFFFAOYSA-N
Compound name
N-dodecyl-3,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

321.2304 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 182.3
[M+Na]+ 344.21962 185.4
[M-H]- 320.22312 181.9
[M+NH4]+ 339.26422 195.2
[M+K]+ 360.19356 180.8
[M+H-H2O]+ 304.22766 174.8
[M+HCOO]- 366.22860 201.3
[M+CH3COO]- 380.24425 209.1
[M+Na-2H]- 342.20507 181.8
[M]+ 321.22985 185.0
[M]- 321.23095 185.0
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