CID 3771166

775314-83-5

Structural Information

Molecular Formula
C21H20ClNO
SMILES
CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CCl
InChI
InChI=1S/C21H20ClNO/c1-15-13-19(20(24)14-22)16(2)23(15)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,21H,14H2,1-2H3
InChIKey
JSHXDEJBKVFULM-UHFFFAOYSA-N
Compound name
1-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.12335 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.130626 181.2
[M+Na]+ 360.112568 189.1
[M-H]- 336.116074 189.6
[M+NH4]+ 355.157173 195.8
[M+K]+ 376.086508 182.2
[M+H-H2O]+ 320.120610 172.4
[M+HCOO]- 382.121551 197.7
[M+CH3COO]- 396.137201 192.1
[M+Na-2H]- 358.098016 180.0
[M]+ 337.12280142 184.3
[M]- 337.12389858 184.3
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.