CID 207176

Carbonic acid, ethyl ester, ester with 4-(diethylamino)butyl-p-hydroxybenzoate, hydrochloride

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCCCC1=C(C=CC(=C1O)C(=O)OC(=O)OCC)N(CC)CC
InChI
InChI=1S/C18H27NO5/c1-5-9-10-13-15(19(6-2)7-3)12-11-14(16(13)20)17(21)24-18(22)23-8-4/h11-12,20H,5-10H2,1-4H3
InChIKey
VMQBNGSLHVGIGU-UHFFFAOYSA-N
Compound name
ethoxycarbonyl 3-butyl-4-(diethylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 181.6
[M+Na]+ 360.17815 186.6
[M-H]- 336.18165 184.8
[M+NH4]+ 355.22275 195.3
[M+K]+ 376.15209 185.9
[M+H-H2O]+ 320.18619 174.0
[M+HCOO]- 382.18713 202.6
[M+CH3COO]- 396.20278 216.1
[M+Na-2H]- 358.16360 179.7
[M]+ 337.18838 188.8
[M]- 337.18948 188.8
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.