CID 40206

Brn 2769657

Structural Information

Molecular Formula
C18H27NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN(C)C)C(=O)OC
InChI
InChI=1S/C18H27NO5/c1-12(2)14-8-7-13(3)16(18(21)22-6)17(14)24-11-15(20)23-10-9-19(4)5/h7-8,12H,9-11H2,1-6H3
InChIKey
IBHICZHJJGSIKX-UHFFFAOYSA-N
Compound name
methyl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.196206 180.4
[M+Na]+ 360.178148 185.6
[M-H]- 336.181654 185.1
[M+NH4]+ 355.222753 194.7
[M+K]+ 376.152088 186.3
[M+H-H2O]+ 320.186190 172.8
[M+HCOO]- 382.187131 202.0
[M+CH3COO]- 396.202781 220.1
[M+Na-2H]- 358.163596 178.0
[M]+ 337.18838142 189.1
[M]- 337.18947858 189.1
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.