CID 3060973

Brn 5619186

Structural Information

Molecular Formula
C21H37N3O2
SMILES
CCCN(CC)CC(C(=O)NC1=C(C=C(C=C1)OC)C)N(CC)CCC
InChI
InChI=1S/C21H37N3O2/c1-7-13-23(9-3)16-20(24(10-4)14-8-2)21(25)22-19-12-11-18(26-6)15-17(19)5/h11-12,15,20H,7-10,13-14,16H2,1-6H3,(H,22,25)
InChIKey
MQLXDNJQGASGPJ-UHFFFAOYSA-N
Compound name
2,3-bis[ethyl(propyl)amino]-N-(4-methoxy-2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.28857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.29585 197.4
[M+Na]+ 386.27779 198.9
[M-H]- 362.28129 202.3
[M+NH4]+ 381.32239 210.5
[M+K]+ 402.25173 198.6
[M+H-H2O]+ 346.28583 188.1
[M+HCOO]- 408.28677 220.5
[M+CH3COO]- 422.30242 235.6
[M+Na-2H]- 384.26324 194.6
[M]+ 363.28802 203.4
[M]- 363.28912 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.