CID 6447710

2-propanol, 1-(2-(2-(1h-indol-4-yl)ethenyl)phenoxy)-3-((1-methylethyl)amino)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC(C)NCC(COC1=CC=CC=C1/C=C/C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C22H26N2O2/c1-16(2)24-14-19(25)15-26-22-9-4-3-6-18(22)11-10-17-7-5-8-21-20(17)12-13-23-21/h3-13,16,19,23-25H,14-15H2,1-2H3/b11-10+
InChIKey
ATQNFJFIVXOPKU-ZHACJKMWSA-N
Compound name
1-[2-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.19943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 186.4
[M+Na]+ 373.188648 191.2
[M-H]- 349.192154 189.7
[M+NH4]+ 368.233253 199.0
[M+K]+ 389.162588 184.7
[M+H-H2O]+ 333.196690 177.7
[M+HCOO]- 395.197631 205.3
[M+CH3COO]- 409.213281 212.5
[M+Na-2H]- 371.174096 187.5
[M]+ 350.19888142 186.9
[M]- 350.19997858 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

patents stripe