CID 11574561

2-octadecyl-1h-indol-3-ol

Structural Information

Molecular Formula
C26H43NO
SMILES
CCCCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2N1)O
InChI
InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3
InChIKey
AYPYUZXAFNVUEC-UHFFFAOYSA-N
Compound name
2-octadecyl-1H-indol-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

385.33447 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.34175 204.9
[M+Na]+ 408.32369 208.0
[M-H]- 384.32719 203.1
[M+NH4]+ 403.36829 217.1
[M+K]+ 424.29763 199.8
[M+H-H2O]+ 368.33173 196.1
[M+HCOO]- 430.33267 221.5
[M+CH3COO]- 444.34832 220.9
[M+Na-2H]- 406.30914 203.0
[M]+ 385.33392 210.6
[M]- 385.33502 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe