CID 40646

Brn 2757180

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(CNC(C)C)O)C(=O)OC
InChI
InChI=1S/C18H29NO4/c1-11(2)15-8-7-13(5)16(18(21)22-6)17(15)23-10-14(20)9-19-12(3)4/h7-8,11-12,14,19-20H,9-10H2,1-6H3
InChIKey
JNLHPPFPJXHLKE-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 179.8
[M+Na]+ 346.19888 188.0
[M+NH4]+ 341.24348 184.5
[M+K]+ 362.17282 184.4
[M-H]- 322.20238 179.6
[M+Na-2H]- 344.18433 181.3
[M]+ 323.20911 180.5
[M]- 323.21021 180.5
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.