CID 2827646

Sirtinol

Structural Information

Molecular Formula
C26H22N2O2
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N=CC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)
InChIKey
UXJFDYIHRJGPFS-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

218
References

1164
Patents

394.16812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 196.0
[M+Na]+ 417.15734 200.5
[M-H]- 393.16084 205.7
[M+NH4]+ 412.20194 206.4
[M+K]+ 433.13128 194.2
[M+H-H2O]+ 377.16538 185.1
[M+HCOO]- 439.16632 217.7
[M+CH3COO]- 453.18197 204.7
[M+Na-2H]- 415.14279 199.6
[M]+ 394.16757 194.8
[M]- 394.16867 194.8
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