CID 720071

Nitron

Structural Information

Molecular Formula
C20H16N4
SMILES
C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H
InChIKey
CWGBFIRHYJNILV-UHFFFAOYSA-N
Compound name
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3543
Patents

312.13748 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14476 172.7
[M+Na]+ 335.12670 191.8
[M+NH4]+ 330.17130 181.8
[M+K]+ 351.10064 184.9
[M-H]- 311.13020 182.3
[M+Na-2H]- 333.11215 187.1
[M]+ 312.13693 178.3
[M]- 312.13803 178.3
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