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]+ 381.21728 194.9
[M+Na]+ 403.19922 204.3
[M+NH4]+ 398.24382 200.2
[M+K]+ 419.17316 200.0
[M-H]- 379.20272 196.4
[M+Na-2H]- 401.18467 198.3
[M]+ 380.20945 196.3
[M]- 380.21055 196.3
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