CID 24845715

102280-84-2

Structural Information

Molecular Formula
C20H17ClN2O
SMILES
COC1=CC=C(C=C1)CN2C=CN3C2=CC(=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H17ClN2O/c1-24-19-8-2-15(3-9-19)13-22-10-11-23-14-17(12-20(22)23)16-4-6-18(21)7-5-16/h2-12,14H,13H2,1H3
InChIKey
CLKLUQKZZVUSLA-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10294 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.110216 179.9
[M+Na]+ 359.092158 191.7
[M-H]- 335.095664 189.1
[M+NH4]+ 354.136763 196.5
[M+K]+ 375.066098 184.1
[M+H-H2O]+ 319.100200 170.7
[M+HCOO]- 381.101141 199.1
[M+CH3COO]- 395.116791 192.2
[M+Na-2H]- 357.077606 181.3
[M]+ 336.10239142 186.4
[M]- 336.10348858 186.4
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.