CID 6447725

2h-indol-2-one, 1,3-dihydro-4-(2-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ethenyl)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)/C=C/C2=C3CC(=O)NC3=CC=C2)O
InChI
InChI=1S/C23H28N2O3/c1-23(2,3)24-14-18(26)15-28-19-11-8-16(9-12-19)7-10-17-5-4-6-21-20(17)13-22(27)25-21/h4-12,18,24,26H,13-15H2,1-3H3,(H,25,27)/b10-7+
InChIKey
ISXBXYFCBIZHAY-JXMROGBWSA-N
Compound name
4-[(E)-2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethenyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 195.1
[M+Na]+ 403.199218 199.2
[M-H]- 379.202724 198.0
[M+NH4]+ 398.243823 206.6
[M+K]+ 419.173158 193.1
[M+H-H2O]+ 363.207260 187.1
[M+HCOO]- 425.208201 210.5
[M+CH3COO]- 439.223851 217.7
[M+Na-2H]- 401.184666 195.5
[M]+ 380.20945142 194.3
[M]- 380.21054858 194.3
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