CID 19776

N-ethyl-3-isopropyl-6-methylsalicylamide

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCNC(=O)C1=C(C=CC(=C1O)C(C)C)C
InChI
InChI=1S/C13H19NO2/c1-5-14-13(16)11-9(4)6-7-10(8(2)3)12(11)15/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKey
QVSFKFIUYYTROV-UHFFFAOYSA-N
Compound name
N-ethyl-2-hydroxy-6-methyl-3-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 158.5
[M-H]- 220.13431 154.3
[M+NH4]+ 239.17541 169.6
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 145.8
[M+HCOO]- 266.13979 172.9
[M+CH3COO]- 280.15544 193.5
[M+Na-2H]- 242.11626 152.8
[M]+ 221.14104 152.3
[M]- 221.14214 152.3
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.