CID 6447714

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

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)/C=C/C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H28N2O2/c1-23(2,3)25-15-19(26)16-27-20-11-8-17(9-12-20)7-10-18-5-4-6-22-21(18)13-14-24-22/h4-14,19,24-26H,15-16H2,1-3H3/b10-7+
InChIKey
SODYWHUJGZZIDX-JXMROGBWSA-N
Compound name
1-(tert-butylamino)-3-[4-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

364.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.7
[M+Na]+ 387.204318 196.9
[M-H]- 363.207824 195.0
[M+NH4]+ 382.248923 204.0
[M+K]+ 403.178258 190.1
[M+H-H2O]+ 347.212360 183.4
[M+HCOO]- 409.213301 209.6
[M+CH3COO]- 423.228951 214.3
[M+Na-2H]- 385.189766 194.4
[M]+ 364.21455142 192.6
[M]- 364.21564858 192.6
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