CID 3052606

Brn 2171430

Structural Information

Molecular Formula
C23H29NO3
SMILES
CN(CCCOC(=O)C1=CC=CC=C1)CCC2CCC3=C2C=C(C=C3)OC
InChI
InChI=1S/C23H29NO3/c1-24(14-6-16-27-23(25)20-7-4-3-5-8-20)15-13-19-10-9-18-11-12-21(26-2)17-22(18)19/h3-5,7-8,11-12,17,19H,6,9-10,13-16H2,1-2H3
InChIKey
DMAJYYLQZGGDNC-UHFFFAOYSA-N
Compound name
3-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl-methylamino]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 192.5
[M+Na]+ 390.20397 196.1
[M-H]- 366.20747 200.2
[M+NH4]+ 385.24857 207.5
[M+K]+ 406.17791 192.8
[M+H-H2O]+ 350.21201 183.5
[M+HCOO]- 412.21295 214.1
[M+CH3COO]- 426.22860 222.6
[M+Na-2H]- 388.18942 192.2
[M]+ 367.21420 196.8
[M]- 367.21530 196.8
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.