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

595
Patents

360.1297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13698 179.4
[M+Na]+ 383.11892 182.8
[M-H]- 359.12242 178.5
[M+NH4]+ 378.16352 190.8
[M+K]+ 399.09286 182.4
[M+H-H2O]+ 343.12696 169.9
[M+HCOO]- 405.12790 194.5
[M+CH3COO]- 419.14355 221.1
[M+Na-2H]- 381.10437 176.1
[M]+ 360.12915 176.3
[M]- 360.13025 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