CID 3061712

2-(3-(benzoyl(2-methoxyphenyl)amino)-1-oxopropoxy)-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C22H29N2O4
SMILES
C[N+](C)(C)CC[C@H](CC(=O)O)N(C1=CC=CC=C1OC)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28N2O4/c1-24(2,3)15-14-18(16-21(25)26)23(19-12-8-9-13-20(19)28-4)22(27)17-10-6-5-7-11-17/h5-13,18H,14-16H2,1-4H3/p+1/t18-/m1/s1
InChIKey
ANPWKSIFPSDUDC-GOSISDBHSA-O
Compound name
[(3R)-3-(N-benzoyl-2-methoxyanilino)-4-carboxybutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.21274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22002 191.0
[M+Na]+ 408.20196 202.2
[M+NH4]+ 403.24656 197.4
[M+K]+ 424.17590 198.3
[M-H]- 384.20546 195.8
[M+Na-2H]- 406.18741 198.3
[M]+ 385.21219 194.2
[M]- 385.21329 194.2
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.