CID 9649046

401934-98-3

Structural Information

Molecular Formula
C19H16N4O2
SMILES
C1=CC=C(C=C1)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3N
InChI
InChI=1S/C19H16N4O2/c20-18-9-5-4-8-17(18)19(14-6-2-1-3-7-14)22-21-15-10-12-16(13-11-15)23(24)25/h1-13,21H,20H2/b22-19+
InChIKey
DNLDHLCLOIYUGS-ZBJSNUHESA-N
Compound name
2-[(E)-N-(4-nitroanilino)-C-phenylcarbonimidoyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 174.1
[M+Na]+ 355.11654 177.2
[M-H]- 331.12004 184.0
[M+NH4]+ 350.16114 185.2
[M+K]+ 371.09048 168.5
[M+H-H2O]+ 315.12458 168.0
[M+HCOO]- 377.12552 201.7
[M+CH3COO]- 391.14117 212.6
[M+Na-2H]- 353.10199 181.3
[M]+ 332.12677 169.1
[M]- 332.12787 169.1
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.