CID 3049255

64633-41-6

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=CC=CC=C1N(C2=CC=CC=C2C)OC(=O)CCCN(C)C
InChI
InChI=1S/C20H26N2O2/c1-16-10-5-7-12-18(16)22(19-13-8-6-11-17(19)2)24-20(23)14-9-15-21(3)4/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
RDNUWQRLAPYKQZ-UHFFFAOYSA-N
Compound name
(2-methyl-N-(2-methylphenyl)anilino) 4-(dimethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 181.5
[M+Na]+ 349.188648 185.7
[M-H]- 325.192154 190.3
[M+NH4]+ 344.233253 196.0
[M+K]+ 365.162588 184.3
[M+H-H2O]+ 309.196690 171.9
[M+HCOO]- 371.197631 206.4
[M+CH3COO]- 385.213281 222.4
[M+Na-2H]- 347.174096 182.8
[M]+ 326.19888142 185.9
[M]- 326.19997858 185.9
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.