CID 3069797

2-chloro-4-(2,5-dimethyl-1-pyrrolyl)-4'-methylbenzophenone

Structural Information

Molecular Formula
C20H18ClNO
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C(=CC=C3C)C)Cl
InChI
InChI=1S/C20H18ClNO/c1-13-4-8-16(9-5-13)20(23)18-11-10-17(12-19(18)21)22-14(2)6-7-15(22)3/h4-12H,1-3H3
InChIKey
IHDRPSXJIZAUEB-UHFFFAOYSA-N
Compound name
[2-chloro-4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1077 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11498 176.7
[M+Na]+ 346.09692 194.1
[M+NH4]+ 341.14152 185.8
[M+K]+ 362.07086 186.3
[M-H]- 322.10042 183.2
[M+Na-2H]- 344.08237 186.6
[M]+ 323.10715 181.6
[M]- 323.10825 181.6
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.