CID 10269877

Glycine, n-acetyl-n-(3-(trifluoromethyl)phenyl)valyl-

Structural Information

Molecular Formula
C16H19F3N2O4
SMILES
CC(C)C(C(=O)NCC(=O)O)N(C1=CC=CC(=C1)C(F)(F)F)C(=O)C
InChI
InChI=1S/C16H19F3N2O4/c1-9(2)14(15(25)20-8-13(23)24)21(10(3)22)12-6-4-5-11(7-12)16(17,18)19/h4-7,9,14H,8H2,1-3H3,(H,20,25)(H,23,24)
InChIKey
JIDBIDDEFPKZDG-UHFFFAOYSA-N
Compound name
2-[[2-[N-acetyl-3-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

422
Patents

360.1297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.136976 179.4
[M+Na]+ 383.118918 182.8
[M-H]- 359.122424 178.5
[M+NH4]+ 378.163523 190.8
[M+K]+ 399.092858 182.4
[M+H-H2O]+ 343.126960 169.9
[M+HCOO]- 405.127901 194.5
[M+CH3COO]- 419.143551 221.1
[M+Na-2H]- 381.104366 176.1
[M]+ 360.12915142 176.3
[M]- 360.13024858 176.3
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

patents stripe