CID 3065841

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

Structural Information

Molecular Formula
C18H31N3O
SMILES
CCCCNCC(C(=O)NC1=CC=CC=C1C)NCCCC
InChI
InChI=1S/C18H31N3O/c1-4-6-12-19-14-17(20-13-7-5-2)18(22)21-16-11-9-8-10-15(16)3/h8-11,17,19-20H,4-7,12-14H2,1-3H3,(H,21,22)
InChIKey
USWNRSOUJTTYSJ-UHFFFAOYSA-N
Compound name
2,3-bis(butylamino)-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.25398 179.9
[M+Na]+ 328.23592 187.3
[M+NH4]+ 323.28052 185.9
[M+K]+ 344.20986 180.5
[M-H]- 304.23942 182.4
[M+Na-2H]- 326.22137 183.7
[M]+ 305.24615 181.2
[M]- 305.24725 181.2
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.