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]+ 238.118616 150.2
[M+Na]+ 260.100558 156.1
[M-H]- 236.104064 153.8
[M+NH4]+ 255.145163 166.6
[M+K]+ 276.074498 150.5
[M+H-H2O]+ 220.108600 148.7
[M+HCOO]- 282.109541 174.5
[M+CH3COO]- 296.125191 190.5
[M+Na-2H]- 258.086006 156.7
[M]+ 237.11079142 147.3
[M]- 237.11188858 147.3
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