CID 53272

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

Structural Information

Molecular Formula
C27H29BrN2O
SMILES
CCN(CC)CN1C2=C(C=C(C=C2)Br)C(C1=O)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C27H29BrN2O/c1-5-29(6-2)18-30-25-16-15-23(28)17-24(25)27(26(30)31,21-11-7-19(3)8-12-21)22-13-9-20(4)10-14-22/h7-17H,5-6,18H2,1-4H3
InChIKey
PIJVCBZIEVHVER-UHFFFAOYSA-N
Compound name
5-bromo-1-(diethylaminomethyl)-3,3-bis(4-methylphenyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.14633 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15361 213.0
[M+Na]+ 499.13555 223.3
[M-H]- 475.13905 225.7
[M+NH4]+ 494.18015 228.7
[M+K]+ 515.10949 210.2
[M+H-H2O]+ 459.14359 209.4
[M+HCOO]- 521.14453 231.2
[M+CH3COO]- 535.16018 224.1
[M+Na-2H]- 497.12100 212.7
[M]+ 476.14578 234.5
[M]- 476.14688 234.5
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.