CID 10018075

3-amino-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula
C11H12F3N3O4
SMILES
CC(CN)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
InChI
InChI=1S/C11H12F3N3O4/c1-10(19,5-15)9(18)16-6-2-3-8(17(20)21)7(4-6)11(12,13)14/h2-4,19H,5,15H2,1H3,(H,16,18)
InChIKey
YCURCXVNSJYMCB-UHFFFAOYSA-N
Compound name
3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

307.078 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.085276 157.6
[M+Na]+ 330.067218 163.3
[M-H]- 306.070724 155.8
[M+NH4]+ 325.111823 170.1
[M+K]+ 346.041158 156.8
[M+H-H2O]+ 290.075260 153.8
[M+HCOO]- 352.076201 175.9
[M+CH3COO]- 366.091851 198.7
[M+Na-2H]- 328.052666 163.9
[M]+ 307.07745142 150.0
[M]- 307.07854858 150.0
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