CID 34077

2-diethylamino-4'-amino-2',6'-dimethylacetanilide dihydrochloride hydrate

Structural Information

Molecular Formula
C14H23N3O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1C)N)C
InChI
InChI=1S/C14H23N3O/c1-5-17(6-2)9-13(18)16-14-10(3)7-12(15)8-11(14)4/h7-8H,5-6,9,15H2,1-4H3,(H,16,18)
InChIKey
HBQZJYRPWUPAEM-UHFFFAOYSA-N
Compound name
N-(4-amino-2,6-dimethylphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.18411 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 162.0
[M+Na]+ 272.17333 167.7
[M-H]- 248.17683 166.6
[M+NH4]+ 267.21793 179.3
[M+K]+ 288.14727 166.1
[M+H-H2O]+ 232.18137 154.6
[M+HCOO]- 294.18231 187.1
[M+CH3COO]- 308.19796 209.1
[M+Na-2H]- 270.15878 163.0
[M]+ 249.18356 162.8
[M]- 249.18466 162.8
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