CID 200388

Nsc 82767

Structural Information

Molecular Formula
C14H11IN
SMILES
CC1=C2C=C(C=CC2=C[N+]3=CC=CC=C13)I
InChI
InChI=1S/C14H11IN/c1-10-13-8-12(15)6-5-11(13)9-16-7-3-2-4-14(10)16/h2-9H,1H3/q+1
InChIKey
IAIFYHINZKXGPQ-UHFFFAOYSA-N
Compound name
9-iodo-11-methylbenzo[b]quinolizin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.99362 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00090 149.7
[M+Na]+ 342.98284 161.9
[M+NH4]+ 338.02744 157.3
[M+K]+ 358.95678 156.3
[M-H]- 318.98634 150.1
[M+Na-2H]- 340.96829 148.0
[M]+ 319.99307 151.2
[M]- 319.99417 151.2
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

No patent data available for this compound.