CID 5989685

2-propenamide, 2-methyl-n-(1-methylethyl)-3-(4-nitrophenyl)-

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(C)NC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C
InChI
InChI=1S/C13H16N2O3/c1-9(2)14-13(16)10(3)8-11-4-6-12(7-5-11)15(17)18/h4-9H,1-3H3,(H,14,16)/b10-8+
InChIKey
ZFSNVNMQEYBVDO-CSKARUKUSA-N
Compound name
(E)-2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.5
[M+Na]+ 271.10531 161.0
[M-H]- 247.10881 159.8
[M+NH4]+ 266.14991 172.4
[M+K]+ 287.07925 155.1
[M+H-H2O]+ 231.11335 154.5
[M+HCOO]- 293.11429 179.6
[M+CH3COO]- 307.12994 191.5
[M+Na-2H]- 269.09076 159.4
[M]+ 248.11554 154.2
[M]- 248.11664 154.2
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.