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]+ 337.11022 179.9
[M+Na]+ 359.09216 191.7
[M-H]- 335.09566 189.1
[M+NH4]+ 354.13676 196.5
[M+K]+ 375.06610 184.1
[M+H-H2O]+ 319.10020 170.7
[M+HCOO]- 381.10114 199.1
[M+CH3COO]- 395.11679 192.2
[M+Na-2H]- 357.07761 181.3
[M]+ 336.10239 186.4
[M]- 336.10349 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.