CID 53273

2-indolinone, 5-bromo-3,3-di-p-tolyl-1-(morpholinomethyl)-

Structural Information

Molecular Formula
C27H27BrN2O2
SMILES
CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)N(C2=O)CN4CCOCC4)C5=CC=C(C=C5)C
InChI
InChI=1S/C27H27BrN2O2/c1-19-3-7-21(8-4-19)27(22-9-5-20(2)6-10-22)24-17-23(28)11-12-25(24)30(26(27)31)18-29-13-15-32-16-14-29/h3-12,17H,13-16,18H2,1-2H3
InChIKey
YCZHKHMMIZGVQS-UHFFFAOYSA-N
Compound name
5-bromo-3,3-bis(4-methylphenyl)-1-(morpholin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.12558 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.13286 217.1
[M+Na]+ 513.11480 226.4
[M-H]- 489.11830 230.1
[M+NH4]+ 508.15940 228.6
[M+K]+ 529.08874 214.5
[M+H-H2O]+ 473.12284 212.9
[M+HCOO]- 535.12378 229.1
[M+CH3COO]- 549.13943 226.7
[M+Na-2H]- 511.10025 216.0
[M]+ 490.12503 233.9
[M]- 490.12613 233.9
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

No patent data available for this compound.