CID 40042

51490-53-0

Structural Information

Molecular Formula
C23H31NO
SMILES
CC(C1=CC=CC=C1)(C2=CC3=C(CCCCC3)C=C2)OCCN(C)C
InChI
InChI=1S/C23H31NO/c1-23(25-17-16-24(2)3,21-12-8-5-9-13-21)22-15-14-19-10-6-4-7-11-20(19)18-22/h5,8-9,12-15,18H,4,6-7,10-11,16-17H2,1-3H3
InChIKey
QNZIDKRCZKCBPW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-phenyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 183.0
[M+Na]+ 360.22979 184.6
[M-H]- 336.23329 191.2
[M+NH4]+ 355.27439 196.6
[M+K]+ 376.20373 185.3
[M+H-H2O]+ 320.23783 176.1
[M+HCOO]- 382.23877 200.9
[M+CH3COO]- 396.25442 218.5
[M+Na-2H]- 358.21524 186.7
[M]+ 337.24002 179.9
[M]- 337.24112 179.9
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.