PubChemLite - 85099-51-0 (C37H68N2O4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(NC(C2)(C)C)(C)C)OC13CCCCCCCCCCC3

InChI

InChI=1S/C37H68N2O4/c1-6-7-8-9-10-11-15-18-21-24-29-42-32(40)25-28-39-33(41)36(30-34(2,3)38-35(4,5)31-36)43-37(39)26-22-19-16-13-12-14-17-20-23-27-37/h38H,6-31H2,1-5H3

InChIKey

FDCDWHGYQOJMTQ-UHFFFAOYSA-N

Compound name

dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate

Related CIDs

2D Structure

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]+	605.52518	251.9
[M+Na]+	627.50712	254.2
[M+NH4]+	622.55172	258.9
[M+K]+	643.48106	241.9
[M-H]-	603.51062	253.2
[M+Na-2H]-	625.49257	253.7
[M]+	604.51735	252.4
[M]-	604.51845	252.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.52518

251.9

[M+Na]+

627.50712

254.2

[M+NH4]+

622.55172

258.9

[M+K]+

643.48106

241.9

[M-H]-

603.51062

253.2

[M+Na-2H]-

625.49257

253.7

[M]+

604.51735

252.4

[M]-

604.51845

252.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

85099-51-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe