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 148.1
[M+Na]+ 342.98284 152.2
[M-H]- 318.98634 145.9
[M+NH4]+ 338.02744 162.8
[M+K]+ 358.95678 147.8
[M+H-H2O]+ 302.99088 139.7
[M+HCOO]- 364.99182 165.1
[M+CH3COO]- 379.00747 192.1
[M+Na-2H]- 340.96829 148.9
[M]+ 319.99307 146.5
[M]- 319.99417 146.5
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.