CID 37431

2-indolinone, 1-benzyl-3-methyl-3-(3-(morpholino)propoxy)-, monohydrochloride, hydrate

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)OCCCN4CCOCC4
InChI
InChI=1S/C23H28N2O3/c1-23(28-15-7-12-24-13-16-27-17-14-24)20-10-5-6-11-21(20)25(22(23)26)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3
InChIKey
DJLQHIXQQBFDNR-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.8
[M+Na]+ 403.19922 198.7
[M-H]- 379.20272 200.9
[M+NH4]+ 398.24382 205.4
[M+K]+ 419.17316 194.5
[M+H-H2O]+ 363.20726 182.6
[M+HCOO]- 425.20820 208.2
[M+CH3COO]- 439.22385 202.2
[M+Na-2H]- 401.18467 194.6
[M]+ 380.20945 193.4
[M]- 380.21055 193.4
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

No patent data available for this compound.