CID 346954

2-phenylpyrrolo[2,1-a]isoquinoline

Structural Information

Molecular Formula
C18H13N
SMILES
C1=CC=C(C=C1)C2=CN3C=CC4=CC=CC=C4C3=C2
InChI
InChI=1S/C18H13N/c1-2-6-14(7-3-1)16-12-18-17-9-5-4-8-15(17)10-11-19(18)13-16/h1-13H
InChIKey
NZCCLILBLHYJBQ-UHFFFAOYSA-N
Compound name
2-phenylpyrrolo[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.1048 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11208 153.9
[M+Na]+ 266.09402 164.5
[M-H]- 242.09752 161.7
[M+NH4]+ 261.13862 173.8
[M+K]+ 282.06796 157.8
[M+H-H2O]+ 226.10206 145.6
[M+HCOO]- 288.10300 177.3
[M+CH3COO]- 302.11865 167.4
[M+Na-2H]- 264.07947 162.3
[M]+ 243.10425 155.2
[M]- 243.10535 155.2
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

patents stripe