CID 10475633

Arterolane

Structural Information

Molecular Formula

C₂₂H₃₆N₂O₄

SMILES

CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N

InChI

InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)

InChIKey

VXYZBLXGCYNIHP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 68
References: 36
Patents: 392.26752 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	393.27480	184.5
[M+Na]+	415.25674	182.1
[M-H]-	391.26024	183.4
[M+NH4]+	410.30134	201.2
[M+K]+	431.23068	182.0
[M+H-H2O]+	375.26478	176.8
[M+HCOO]-	437.26572	181.7
[M+CH3COO]-	451.28137	189.0
[M+Na-2H]-	413.24219	191.4
[M]+	392.26697	181.7
[M]-	392.26807	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe