CID 172983

Iproxamine

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC1=CC(=C(C=C1OC(=O)OC(C)C)C(C)C)OCCN(C)C
InChI
InChI=1S/C18H29NO4/c1-12(2)15-11-16(23-18(20)22-13(3)4)14(5)10-17(15)21-9-8-19(6)7/h10-13H,8-9H2,1-7H3
InChIKey
JBWWCPMFTSBPAK-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

323.20966 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 179.4
[M+Na]+ 346.198878 184.4
[M-H]- 322.202384 184.1
[M+NH4]+ 341.243483 194.5
[M+K]+ 362.172818 185.1
[M+H-H2O]+ 306.206920 172.0
[M+HCOO]- 368.207861 200.6
[M+CH3COO]- 382.223511 218.8
[M+Na-2H]- 344.184326 176.8
[M]+ 323.20911142 187.3
[M]- 323.21020858 187.3
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

patents stripe