CID 22750441

Qwwdrnfzsazcqe-uhfffaoysa-n

Structural Information

Molecular Formula
C26H32N2O
SMILES
CC(CCCC(C)(C)O)CC(C1C=NC2=CC=CC=C12)C3C=NC4=CC=CC=C34
InChI
InChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3
InChIKey
QWWDRNFZSAZCQE-UHFFFAOYSA-N
Compound name
8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.25146 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.258736 202.4
[M+Na]+ 411.240678 206.9
[M-H]- 387.244184 206.4
[M+NH4]+ 406.285283 215.7
[M+K]+ 427.214618 200.6
[M+H-H2O]+ 371.248720 193.7
[M+HCOO]- 433.249661 216.0
[M+CH3COO]- 447.265311 221.8
[M+Na-2H]- 409.226126 200.7
[M]+ 388.25091142 204.2
[M]- 388.25200858 204.2
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

patents stripe