CID 60836

N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide

Structural Information

Molecular Formula
C25H25NO4
SMILES
CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)O
InChI
InChI=1S/C25H25NO4/c1-18(27)22-11-7-12-23(24(22)28)26-25(29)20-13-15-21(16-14-20)30-17-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-16,28H,5-6,10,17H2,1H3,(H,26,29)
InChIKey
NTUBQTVFDLDHRH-UHFFFAOYSA-N
Compound name
N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

403.17834 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18562 199.0
[M+Na]+ 426.16756 202.8
[M-H]- 402.17106 206.6
[M+NH4]+ 421.21216 207.8
[M+K]+ 442.14150 197.7
[M+H-H2O]+ 386.17560 188.5
[M+HCOO]- 448.17654 219.3
[M+CH3COO]- 462.19219 224.7
[M+Na-2H]- 424.15301 199.1
[M]+ 403.17779 200.5
[M]- 403.17889 200.5
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

patents stripe