CID 40640

Brn 2743669

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)C(=O)OC(C)C
InChI
InChI=1S/C18H29NO3/c1-12(2)15-9-8-14(5)16(18(20)22-13(3)4)17(15)21-11-10-19(6)7/h8-9,12-13H,10-11H2,1-7H3
InChIKey
QYYJLBGFIYZBTC-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 176.2
[M+Na]+ 330.20397 181.3
[M-H]- 306.20747 180.9
[M+NH4]+ 325.24857 192.0
[M+K]+ 346.17791 181.3
[M+H-H2O]+ 290.21201 169.0
[M+HCOO]- 352.21295 197.1
[M+CH3COO]- 366.22860 217.4
[M+Na-2H]- 328.18942 173.5
[M]+ 307.21420 182.7
[M]- 307.21530 182.7
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.