CID 267121

Nsc106237

Structural Information

Molecular Formula
C25H28N2O2
SMILES
CCOC(=O)C(C)(C1=C(N(C2=CC=CC=C21)C)C)C3=C(N(C4=CC=CC=C43)C)C
InChI
InChI=1S/C25H28N2O2/c1-7-29-24(28)25(4,22-16(2)26(5)20-14-10-8-12-18(20)22)23-17(3)27(6)21-15-11-9-13-19(21)23/h8-15H,7H2,1-6H3
InChIKey
DGXQVIINVUULQZ-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(1,2-dimethylindol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22238 200.6
[M+Na]+ 411.20432 212.1
[M-H]- 387.20782 208.7
[M+NH4]+ 406.24892 216.2
[M+K]+ 427.17826 206.2
[M+H-H2O]+ 371.21236 192.9
[M+HCOO]- 433.21330 220.2
[M+CH3COO]- 447.22895 225.5
[M+Na-2H]- 409.18977 200.2
[M]+ 388.21455 209.6
[M]- 388.21565 209.6
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.