CID 13416866

Ammonium, (2-(2-(p-hydroxyphenoxy)acetamido)ethyl)triethyl-, iodide, dimethylcarbamate

Structural Information

Molecular Formula
C19H32N3O4
SMILES
CC[N+](CC)(CC)CCNC(=O)COC1=CC=C(C=C1)OC(=O)N(C)C
InChI
InChI=1S/C19H31N3O4/c1-6-22(7-2,8-3)14-13-20-18(23)15-25-16-9-11-17(12-10-16)26-19(24)21(4)5/h9-12H,6-8,13-15H2,1-5H3/p+1
InChIKey
USMFLLKTENVZRO-UHFFFAOYSA-O
Compound name
2-[[2-[4-(dimethylcarbamoyloxy)phenoxy]acetyl]amino]ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2393 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24658 189.3
[M+Na]+ 389.22852 191.3
[M-H]- 365.23202 194.6
[M+NH4]+ 384.27312 202.0
[M+K]+ 405.20246 186.1
[M+H-H2O]+ 349.23656 183.4
[M+HCOO]- 411.23750 212.7
[M+CH3COO]- 425.25315 222.3
[M+Na-2H]- 387.21397 193.5
[M]+ 366.23875 194.3
[M]- 366.23985 194.3
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.