CID 15004

Propanidid

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OC
InChI
InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3
InChIKey
KEJXLQUPYHWCNM-UHFFFAOYSA-N
Compound name
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

820
References

1651
Patents

337.18893 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.196206 181.7
[M+Na]+ 360.178148 186.2
[M-H]- 336.181654 185.9
[M+NH4]+ 355.222753 195.8
[M+K]+ 376.152088 186.2
[M+H-H2O]+ 320.186190 173.6
[M+HCOO]- 382.187131 204.3
[M+CH3COO]- 396.202781 217.9
[M+Na-2H]- 358.163596 181.0
[M]+ 337.18838142 190.6
[M]- 337.18947858 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe