CID 3065063

2,3-bis(dimethylamino)-o-propionotoluidide dihydrochloride

Structural Information

Molecular Formula
C14H23N3O
SMILES
CC1=CC=CC=C1NC(=O)C(CN(C)C)N(C)C
InChI
InChI=1S/C14H23N3O/c1-11-8-6-7-9-12(11)15-14(18)13(17(4)5)10-16(2)3/h6-9,13H,10H2,1-5H3,(H,15,18)
InChIKey
BZNXXYXLFQSFMZ-UHFFFAOYSA-N
Compound name
2,3-bis(dimethylamino)-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 162.5
[M+Na]+ 272.17333 166.2
[M-H]- 248.17683 168.5
[M+NH4]+ 267.21793 180.0
[M+K]+ 288.14727 166.8
[M+H-H2O]+ 232.18137 154.5
[M+HCOO]- 294.18231 187.8
[M+CH3COO]- 308.19796 211.6
[M+Na-2H]- 270.15878 164.1
[M]+ 249.18356 164.2
[M]- 249.18466 164.2
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.