CID 5276305

Chembl42999

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CC1=CC(=C(C=C1)O)C(=O)NCCCN(C(C)C)C(C)C
InChI
InChI=1S/C17H28N2O2/c1-12(2)19(13(3)4)10-6-9-18-17(21)15-11-14(5)7-8-16(15)20/h7-8,11-13,20H,6,9-10H2,1-5H3,(H,18,21)
InChIKey
NNTRMWHSMGLTTD-UHFFFAOYSA-N
Compound name
N-[3-[di(propan-2-yl)amino]propyl]-2-hydroxy-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.2151 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 175.1
[M+Na]+ 315.20432 178.4
[M-H]- 291.20782 178.1
[M+NH4]+ 310.24892 190.1
[M+K]+ 331.17826 177.2
[M+H-H2O]+ 275.21236 167.7
[M+HCOO]- 337.21330 195.6
[M+CH3COO]- 351.22895 213.8
[M+Na-2H]- 313.18977 173.1
[M]+ 292.21455 176.7
[M]- 292.21565 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.