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]+ 371.19655 189.9
[M+Na]+ 393.17849 192.2
[M-H]- 369.18199 192.8
[M+NH4]+ 388.22309 199.5
[M+K]+ 409.15243 187.5
[M+H-H2O]+ 353.18653 180.7
[M+HCOO]- 415.18747 210.0
[M+CH3COO]- 429.20312 217.9
[M+Na-2H]- 391.16394 190.4
[M]+ 370.18872 189.8
[M]- 370.18982 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.