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]+ 240.12303 153.7
[M+Na]+ 262.10497 160.2
[M-H]- 238.10847 153.6
[M+NH4]+ 257.14957 169.5
[M+K]+ 278.07891 157.1
[M+H-H2O]+ 222.11301 147.8
[M+HCOO]- 284.11395 173.8
[M+CH3COO]- 298.12960 189.2
[M+Na-2H]- 260.09042 155.8
[M]+ 239.11520 153.8
[M]- 239.11630 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