CID 57957886

Tolprocarb

Structural Information

Molecular Formula
C16H21F3N2O3
SMILES
CC1=CC=C(C=C1)C(=O)NC[C@H](C(C)C)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C16H21F3N2O3/c1-10(2)13(21-15(23)24-9-16(17,18)19)8-20-14(22)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKey
RSOBJVBYZCMJOS-CYBMUJFWSA-N
Compound name
2,2,2-trifluoroethyl N-[(2S)-3-methyl-1-[(4-methylbenzoyl)amino]butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5419
Patents

346.15042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15770 179.5
[M+Na]+ 369.13964 183.6
[M+NH4]+ 364.18424 181.7
[M+K]+ 385.11358 181.0
[M-H]- 345.14314 174.8
[M+Na-2H]- 367.12509 179.9
[M]+ 346.14987 178.0
[M]- 346.15097 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe