CID 40658

Brn 2778638

Structural Information

Molecular Formula
C21H34N2O4
SMILES
CCN(CC)CCCNC(=O)COC1=C(C=CC(=C1C(=O)OC)C)C(C)C
InChI
InChI=1S/C21H34N2O4/c1-7-23(8-2)13-9-12-22-18(24)14-27-20-17(15(3)4)11-10-16(5)19(20)21(25)26-6/h10-11,15H,7-9,12-14H2,1-6H3,(H,22,24)
InChIKey
OWYSYUPPDPNMPG-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-(diethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.25186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.25914 196.8
[M+Na]+ 401.24108 199.8
[M-H]- 377.24458 200.8
[M+NH4]+ 396.28568 209.1
[M+K]+ 417.21502 199.3
[M+H-H2O]+ 361.24912 188.3
[M+HCOO]- 423.25006 218.1
[M+CH3COO]- 437.26571 232.0
[M+Na-2H]- 399.22653 192.9
[M]+ 378.25131 204.2
[M]- 378.25241 204.2
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.