CID 3063196

Benzamide, n-pentyl-3,4,5-trihydroxy-

Structural Information

Molecular Formula
C12H17NO4
SMILES
CCCCCNC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C12H17NO4/c1-2-3-4-5-13-12(17)8-6-9(14)11(16)10(15)7-8/h6-7,14-16H,2-5H2,1H3,(H,13,17)
InChIKey
YHAIVSVLSAOHGF-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-N-pentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.7
[M+Na]+ 262.104968 160.2
[M-H]- 238.108474 153.6
[M+NH4]+ 257.149573 169.5
[M+K]+ 278.078908 157.1
[M+H-H2O]+ 222.113010 147.8
[M+HCOO]- 284.113951 173.8
[M+CH3COO]- 298.129601 189.2
[M+Na-2H]- 260.090416 155.8
[M]+ 239.11520142 153.8
[M]- 239.11629858 153.8
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