CID 13262421

1h-pyrrolo[2,3-f]isoquinoline

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC2=C(C=CN=C2)C3=C1C=CN3
InChI
InChI=1S/C11H8N2/c1-2-9-7-12-5-4-10(9)11-8(1)3-6-13-11/h1-7,13H
InChIKey
GTWRYPDLQCRRQK-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-f]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

168.06874 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 131.7
[M+Na]+ 191.05796 142.8
[M-H]- 167.06146 133.9
[M+NH4]+ 186.10256 153.0
[M+K]+ 207.03190 137.5
[M+H-H2O]+ 151.06600 124.8
[M+HCOO]- 213.06694 153.6
[M+CH3COO]- 227.08259 145.7
[M+Na-2H]- 189.04341 142.2
[M]+ 168.06819 131.7
[M]- 168.06929 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe