CID 3076080

Brn 3626812

Structural Information

Molecular Formula
C21H26N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCCNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C21H26N2O4/c24-18-12-6-4-10-16(18)20(26)22-14-8-2-1-3-9-15-23-21(27)17-11-5-7-13-19(17)25/h4-7,10-13,24-25H,1-3,8-9,14-15H2,(H,22,26)(H,23,27)
InChIKey
ZJZGAMVKIGMKEE-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[7-[(2-hydroxybenzoyl)amino]heptyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 189.9
[M+Na]+ 393.178488 192.2
[M-H]- 369.181994 192.8
[M+NH4]+ 388.223093 199.5
[M+K]+ 409.152428 187.5
[M+H-H2O]+ 353.186530 180.7
[M+HCOO]- 415.187471 210.0
[M+CH3COO]- 429.203121 217.9
[M+Na-2H]- 391.163936 190.4
[M]+ 370.18872142 189.8
[M]- 370.18981858 189.8
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

No patent data available for this compound.