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]+ 327.20671 181.5
[M+Na]+ 349.18865 185.7
[M-H]- 325.19215 190.3
[M+NH4]+ 344.23325 196.0
[M+K]+ 365.16259 184.3
[M+H-H2O]+ 309.19669 171.9
[M+HCOO]- 371.19763 206.4
[M+CH3COO]- 385.21328 222.4
[M+Na-2H]- 347.17410 182.8
[M]+ 326.19888 185.9
[M]- 326.19998 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.