CID 479481

1-[1-(2,4-dichloro-benzyl)-4-phenyl-1h-pyrrol-3-yl]-1-phenyl-methanol

Structural Information

Molecular Formula
C24H19Cl2NO
SMILES
C1=CC=C(C=C1)C2=CN(C=C2C(C3=CC=CC=C3)O)CC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H19Cl2NO/c25-20-12-11-19(23(26)13-20)14-27-15-21(17-7-3-1-4-8-17)22(16-27)24(28)18-9-5-2-6-10-18/h1-13,15-16,24,28H,14H2
InChIKey
QWPIUWFYNKDNJL-UHFFFAOYSA-N
Compound name
[1-[(2,4-dichlorophenyl)methyl]-4-phenylpyrrol-3-yl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.08438 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09166 196.9
[M+Na]+ 430.07360 205.5
[M-H]- 406.07710 206.1
[M+NH4]+ 425.11820 208.1
[M+K]+ 446.04754 196.0
[M+H-H2O]+ 390.08164 187.1
[M+HCOO]- 452.08258 207.6
[M+CH3COO]- 466.09823 206.1
[M+Na-2H]- 428.05905 195.4
[M]+ 407.08383 199.8
[M]- 407.08493 199.8
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

No patent data available for this compound.