CID 555781

(3-nitro-benzylidene)-(4-phenylazo-phenyl)-amine

Structural Information

Molecular Formula
C19H14N4O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N4O2/c24-23(25)19-8-4-5-15(13-19)14-20-16-9-11-18(12-10-16)22-21-17-6-2-1-3-7-17/h1-14H
InChIKey
WWRKYXPXQZJAGM-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11166 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11894 175.4
[M+Na]+ 353.10088 180.1
[M-H]- 329.10438 188.5
[M+NH4]+ 348.14548 188.3
[M+K]+ 369.07482 172.2
[M+H-H2O]+ 313.10892 168.4
[M+HCOO]- 375.10986 207.7
[M+CH3COO]- 389.12551 216.1
[M+Na-2H]- 351.08633 185.2
[M]+ 330.11111 174.7
[M]- 330.11221 174.7
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.