CID 60498

111472-08-3

Structural Information

Molecular Formula
C19H25N2O
SMILES
C[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C19H24N2O/c1-21(2,3)15-14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H-,20,22)/p+1
InChIKey
NWCAFBPXPZSSCD-UHFFFAOYSA-O
Compound name
(4-amino-4-oxo-3,3-diphenylbutyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1967 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20398 170.8
[M+Na]+ 320.18592 174.5
[M-H]- 296.18942 177.8
[M+NH4]+ 315.23052 185.3
[M+K]+ 336.15986 165.6
[M+H-H2O]+ 280.19396 165.7
[M+HCOO]- 342.19490 192.1
[M+CH3COO]- 356.21055 204.6
[M+Na-2H]- 318.17137 179.3
[M]+ 297.19615 168.5
[M]- 297.19725 168.5
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.