CID 6447710

(e)-1-(2-(2-(1h-indol-4-yl)ethenyl)phenoxy)-3-(isopropylamino)-2-propanol hydrochloride

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]+ 351.20671 186.4
[M+Na]+ 373.18865 191.2
[M-H]- 349.19215 189.7
[M+NH4]+ 368.23325 199.0
[M+K]+ 389.16259 184.7
[M+H-H2O]+ 333.19669 177.7
[M+HCOO]- 395.19763 205.3
[M+CH3COO]- 409.21328 212.5
[M+Na-2H]- 371.17410 187.5
[M]+ 350.19888 186.9
[M]- 350.19998 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

patents stripe