CID 3059417

76410-34-9

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC1=C(N(C2=C1C(=CC=C2)OCC(CNCC3=CC=CC=C3)O)C)C
InChI
InChI=1S/C21H26N2O2/c1-15-16(2)23(3)19-10-7-11-20(21(15)19)25-14-18(24)13-22-12-17-8-5-4-6-9-17/h4-11,18,22,24H,12-14H2,1-3H3
InChIKey
GBBIOXIPEPTPFC-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-(1,2,3-trimethylindol-4-yl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.8
[M+Na]+ 361.18865 197.3
[M+NH4]+ 356.23325 191.3
[M+K]+ 377.16259 191.0
[M-H]- 337.19215 188.0
[M+Na-2H]- 359.17410 190.4
[M]+ 338.19888 186.9
[M]- 338.19998 186.9
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.