CID 104064

2-(4-dodecylphenyl)-1h-indole

Structural Information

Molecular Formula
C26H35N
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C26H35N/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)26-21-24-15-12-13-16-25(24)27-26/h12-13,15-21,27H,2-11,14H2,1H3
InChIKey
BTFUHFBRQZAJRT-UHFFFAOYSA-N
Compound name
2-(4-dodecylphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.27695 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.28423 195.3
[M+Na]+ 384.26617 200.4
[M-H]- 360.26967 198.8
[M+NH4]+ 379.31077 208.8
[M+K]+ 400.24011 191.7
[M+H-H2O]+ 344.27421 185.7
[M+HCOO]- 406.27515 214.6
[M+CH3COO]- 420.29080 217.2
[M+Na-2H]- 382.25162 196.0
[M]+ 361.27640 198.7
[M]- 361.27750 198.7
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