CID 58741

101710-53-6

Structural Information

Molecular Formula
C21H29N2O2
SMILES
CC[N+](CC)(CC)CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H29N2O2/c1-4-23(5-2,6-3)17-18-25-21(24)22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3/q+1
InChIKey
KQPPMNSEJAOJGQ-UHFFFAOYSA-N
Compound name
2-(diphenylcarbamoyloxy)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2229 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.23018 185.8
[M+Na]+ 364.21212 188.2
[M-H]- 340.21562 194.0
[M+NH4]+ 359.25672 199.2
[M+K]+ 380.18606 180.6
[M+H-H2O]+ 324.22016 179.0
[M+HCOO]- 386.22110 209.2
[M+CH3COO]- 400.23675 214.9
[M+Na-2H]- 362.19757 192.3
[M]+ 341.22235 188.0
[M]- 341.22345 188.0
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.