CID 213326

Phenethyl alcohol, p-(2-methyl-5-phenylpyrrol-1-yl)-

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]+ 278.15395 165.6
[M+Na]+ 300.13589 173.7
[M-H]- 276.13939 173.1
[M+NH4]+ 295.18049 181.4
[M+K]+ 316.10983 167.6
[M+H-H2O]+ 260.14393 157.0
[M+HCOO]- 322.14487 187.9
[M+CH3COO]- 336.16052 177.5
[M+Na-2H]- 298.12134 168.1
[M]+ 277.14612 165.8
[M]- 277.14722 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.