CID 362920

Nsc627395

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CCOC(=O)C(C)(C1=C(NC2=CC=CC=C21)C)C3=C(NC4=CC=CC=C43)C
InChI
InChI=1S/C23H24N2O2/c1-5-27-22(26)23(4,20-14(2)24-18-12-8-6-10-16(18)20)21-15(3)25-19-13-9-7-11-17(19)21/h6-13,24-25H,5H2,1-4H3
InChIKey
NCXIIPCDUJPFDG-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(2-methyl-1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 191.0
[M+Na]+ 383.17300 200.7
[M-H]- 359.17650 196.0
[M+NH4]+ 378.21760 205.7
[M+K]+ 399.14694 193.6
[M+H-H2O]+ 343.18104 183.7
[M+HCOO]- 405.18198 208.4
[M+CH3COO]- 419.19763 201.2
[M+Na-2H]- 381.15845 192.4
[M]+ 360.18323 195.1
[M]- 360.18433 195.1
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.