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 195.1
[M+Na]+ 403.19922 199.2
[M-H]- 379.20272 198.0
[M+NH4]+ 398.24382 206.6
[M+K]+ 419.17316 193.1
[M+H-H2O]+ 363.20726 187.1
[M+HCOO]- 425.20820 210.5
[M+CH3COO]- 439.22385 217.7
[M+Na-2H]- 401.18467 195.5
[M]+ 380.20945 194.3
[M]- 380.21055 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