CID 202036

Brn 0451815

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCN(CCC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C)CCO
InChI
InChI=1S/C23H30N2O2/c1-4-24(14-15-26)13-12-21-18(2)25(17-19-8-6-5-7-9-19)23-11-10-20(27-3)16-22(21)23/h5-11,16,26H,4,12-15,17H2,1-3H3
InChIKey
DOPRPCPGPTZHQE-UHFFFAOYSA-N
Compound name
2-[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.5
[M+Na]+ 389.219958 199.6
[M-H]- 365.223464 198.9
[M+NH4]+ 384.264563 206.5
[M+K]+ 405.193898 194.4
[M+H-H2O]+ 349.228000 183.2
[M+HCOO]- 411.228941 214.8
[M+CH3COO]- 425.244591 223.0
[M+Na-2H]- 387.205406 193.5
[M]+ 366.23019142 199.2
[M]- 366.23128858 199.2
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.