CID 6447722

2-propanamine, n-(2-(2-(2-(1h-indol-4-yl)ethonyl)phenoxy)ethyl)-2-methyl-, (e)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC(C)(C)NCCOC1=CC=CC=C1/C=C/C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C22H26N2O/c1-22(2,3)24-15-16-25-21-10-5-4-7-18(21)12-11-17-8-6-9-20-19(17)13-14-23-20/h4-14,23-24H,15-16H2,1-3H3/b12-11+
InChIKey
TWZZAZDYIRQYDM-VAWYXSNFSA-N
Compound name
N-[2-[2-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]ethyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.2045 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 184.2
[M+Na]+ 357.193718 190.9
[M-H]- 333.197224 189.0
[M+NH4]+ 352.238323 198.6
[M+K]+ 373.167658 183.8
[M+H-H2O]+ 317.201760 175.8
[M+HCOO]- 379.202701 204.8
[M+CH3COO]- 393.218351 210.8
[M+Na-2H]- 355.179166 188.7
[M]+ 334.20395142 185.8
[M]- 334.20504858 185.8
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

patents stripe