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
3
Annotation Hits

2
References

4355
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 173.3
[M+Na]+ 335.12670 179.8
[M-H]- 311.13020 181.9
[M+NH4]+ 330.17130 183.6
[M+K]+ 351.10064 167.2
[M+H-H2O]+ 295.13474 165.3
[M+HCOO]- 357.13568 196.0
[M+CH3COO]- 371.15133 199.0
[M+Na-2H]- 333.11215 180.9
[M]+ 312.13693 168.1
[M]- 312.13803 168.1
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.