CID 47277

Bl 401

Structural Information

Molecular Formula
C21H29N2O
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)C)[N+](C)(C)C
InChI
InChI=1S/C21H28N2O/c1-17(23(3,4)5)16-21(22-18(2)24,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17H,16H2,1-5H3/p+1
InChIKey
OIPBDMLIGNCDSU-UHFFFAOYSA-O
Compound name
(4-acetamido-4,4-diphenylbutan-2-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.228 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.235276 179.1
[M+Na]+ 348.217218 181.6
[M-H]- 324.220724 186.3
[M+NH4]+ 343.261823 192.7
[M+K]+ 364.191158 173.2
[M+H-H2O]+ 308.225260 173.7
[M+HCOO]- 370.226201 199.4
[M+CH3COO]- 384.241851 211.3
[M+Na-2H]- 346.202666 186.5
[M]+ 325.22745142 177.8
[M]- 325.22854858 177.8
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.