CID 3061710

N-benzoyl-n-(p-ethoxyphenyl)alanine 2-(dimethylamino)ethyl ester salicylate

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCOC1=CC=C(C=C1)N([C@@H](C)C(=O)OCCN(C)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28N2O4/c1-5-27-20-13-11-19(12-14-20)24(21(25)18-9-7-6-8-10-18)17(2)22(26)28-16-15-23(3)4/h6-14,17H,5,15-16H2,1-4H3/t17-/m0/s1
InChIKey
GZIVOGWTJZDVNT-KRWDZBQOSA-N
Compound name
2-(dimethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.212176 195.7
[M+Na]+ 407.194118 197.6
[M-H]- 383.197624 203.8
[M+NH4]+ 402.238723 207.0
[M+K]+ 423.168058 197.7
[M+H-H2O]+ 367.202160 185.5
[M+HCOO]- 429.203101 218.5
[M+CH3COO]- 443.218751 231.5
[M+Na-2H]- 405.179566 194.5
[M]+ 384.20435142 201.2
[M]- 384.20544858 201.2
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.