CID 3042608

Brn 0808916

Structural Information

Molecular Formula
C19H15ClN2
SMILES
C1=CC=C(C=C1)CN2C=CN3C2=CC(=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN2/c20-18-8-6-16(7-9-18)17-12-19-21(10-11-22(19)14-17)13-15-4-2-1-3-5-15/h1-12,14H,13H2
InChIKey
OICHAFSUOFKTQP-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-chlorophenyl)pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.09238 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09966 172.0
[M+Na]+ 329.08160 183.6
[M-H]- 305.08510 180.8
[M+NH4]+ 324.12620 189.6
[M+K]+ 345.05554 175.5
[M+H-H2O]+ 289.08964 162.8
[M+HCOO]- 351.09058 191.3
[M+CH3COO]- 365.10623 184.6
[M+Na-2H]- 327.06705 174.5
[M]+ 306.09183 176.3
[M]- 306.09293 176.3
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.