CID 391343

Nsc690373

Structural Information

Molecular Formula
C17H11N3
SMILES
C1C2=CC=CC=C2C3=NC4=NC5=CC=CC=C5N4C=C31
InChI
InChI=1S/C17H11N3/c1-2-6-13-11(5-1)9-12-10-20-15-8-4-3-7-14(15)18-17(20)19-16(12)13/h1-8,10H,9H2
InChIKey
APACTHYSARBLMH-UHFFFAOYSA-N
Compound name
2,13,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),2,4,6,8,11,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0953 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10258 156.7
[M+Na]+ 280.08452 169.6
[M-H]- 256.08802 161.5
[M+NH4]+ 275.12912 177.3
[M+K]+ 296.05846 162.4
[M+H-H2O]+ 240.09256 148.0
[M+HCOO]- 302.09350 176.7
[M+CH3COO]- 316.10915 169.7
[M+Na-2H]- 278.06997 164.2
[M]+ 257.09475 160.0
[M]- 257.09585 160.0
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.