CID 362919

Nsc627394

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CCOC(=O)C(C)(C1=CN(C2=CC=CC=C21)C)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C23H24N2O2/c1-5-27-22(26)23(2,18-14-24(3)20-12-8-6-10-16(18)20)19-15-25(4)21-13-9-7-11-17(19)21/h6-15H,5H2,1-4H3
InChIKey
ADERMOWTTYJYRP-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(1-methylindol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 191.4
[M+Na]+ 383.17300 202.0
[M-H]- 359.17650 199.0
[M+NH4]+ 378.21760 207.5
[M+K]+ 399.14694 196.4
[M+H-H2O]+ 343.18104 183.3
[M+HCOO]- 405.18198 211.7
[M+CH3COO]- 419.19763 202.9
[M+Na-2H]- 381.15845 193.3
[M]+ 360.18323 198.9
[M]- 360.18433 198.9
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.