CID 213326

26165-72-0

Structural Information

Molecular Formula
C19H19NO
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)CCO)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO/c1-15-7-12-19(17-5-3-2-4-6-17)20(15)18-10-8-16(9-11-18)13-14-21/h2-12,21H,13-14H2,1H3
InChIKey
HEGHQILMTBPXSZ-UHFFFAOYSA-N
Compound name
2-[4-(2-methyl-5-phenylpyrrol-1-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.153946 165.6
[M+Na]+ 300.135888 173.7
[M-H]- 276.139394 173.1
[M+NH4]+ 295.180493 181.4
[M+K]+ 316.109828 167.6
[M+H-H2O]+ 260.143930 157.0
[M+HCOO]- 322.144871 187.9
[M+CH3COO]- 336.160521 177.5
[M+Na-2H]- 298.121336 168.1
[M]+ 277.14612142 165.8
[M]- 277.14721858 165.8
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.