CID 5746781

Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C11H15N3O3/c1-11(2,3)10(15)13-9-6-7(14(16)17)4-5-8(9)12/h4-6H,12H2,1-3H3,(H,13,15)
InChIKey
VAFOGELTEDKQPQ-UHFFFAOYSA-N
Compound name
N-(2-amino-5-nitrophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

237.11134 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 150.7
[M+Na]+ 260.10056 160.7
[M+NH4]+ 255.14516 157.0
[M+K]+ 276.07450 159.6
[M-H]- 236.10406 153.2
[M+Na-2H]- 258.08601 155.2
[M]+ 237.11079 152.5
[M]- 237.11189 152.5
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