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]+ 338.13063 181.2
[M+Na]+ 360.11257 189.1
[M-H]- 336.11607 189.6
[M+NH4]+ 355.15717 195.8
[M+K]+ 376.08651 182.2
[M+H-H2O]+ 320.12061 172.4
[M+HCOO]- 382.12155 197.7
[M+CH3COO]- 396.13720 192.1
[M+Na-2H]- 358.09802 180.0
[M]+ 337.12280 184.3
[M]- 337.12390 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.