CID 3456427

194799-33-2

Structural Information

Molecular Formula
C20H14N4O2
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC(=C3N=NC4=CC=C(C=C4)[N+](=O)[O-])N
InChI
InChI=1S/C20H14N4O2/c21-19-10-5-15-11-13-3-1-2-4-14(13)12-18(15)20(19)23-22-16-6-8-17(9-7-16)24(25)26/h1-12H,21H2
InChIKey
HAHAZTBWZBDHQZ-UHFFFAOYSA-N
Compound name
1-[(4-nitrophenyl)diazenyl]anthracen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11166 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 174.1
[M+Na]+ 365.10088 181.3
[M-H]- 341.10438 184.8
[M+NH4]+ 360.14548 188.2
[M+K]+ 381.07482 172.3
[M+H-H2O]+ 325.10892 168.0
[M+HCOO]- 387.10986 203.1
[M+CH3COO]- 401.12551 219.1
[M+Na-2H]- 363.08633 185.8
[M]+ 342.11111 174.1
[M]- 342.11221 174.1
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

patents stripe