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]+ 326.23528 179.1
[M+Na]+ 348.21722 181.6
[M-H]- 324.22072 186.3
[M+NH4]+ 343.26182 192.7
[M+K]+ 364.19116 173.2
[M+H-H2O]+ 308.22526 173.7
[M+HCOO]- 370.22620 199.4
[M+CH3COO]- 384.24185 211.3
[M+Na-2H]- 346.20267 186.5
[M]+ 325.22745 177.8
[M]- 325.22855 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.