CID 16781087

N-(5-amino-2-methylphenyl)-3-(dimethylamino)propanamide

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC1=C(C=C(C=C1)N)NC(=O)CCN(C)C
InChI
InChI=1S/C12H19N3O/c1-9-4-5-10(13)8-11(9)14-12(16)6-7-15(2)3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKey
OYARFPVMOOFAFD-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methylphenyl)-3-(dimethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 152.8
[M+Na]+ 244.142038 158.4
[M-H]- 220.145544 157.5
[M+NH4]+ 239.186643 171.0
[M+K]+ 260.115978 157.3
[M+H-H2O]+ 204.150080 145.6
[M+HCOO]- 266.151021 178.7
[M+CH3COO]- 280.166671 201.8
[M+Na-2H]- 242.127486 155.7
[M]+ 221.15227142 152.5
[M]- 221.15336858 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

No patent data available for this compound.