CID 47665

65542-15-6

Structural Information

Molecular Formula
C15H14N4O4
SMILES
CN(CC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14N4O4/c1-18(10-11-2-8-14(9-3-11)19(22)23)17-16-13-6-4-12(5-7-13)15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKey
WQUKDBHBKGMTDS-UHFFFAOYSA-N
Compound name
4-[[methyl-[(4-nitrophenyl)methyl]amino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.108776 168.0
[M+Na]+ 337.090718 172.0
[M-H]- 313.094224 177.1
[M+NH4]+ 332.135323 181.1
[M+K]+ 353.064658 167.1
[M+H-H2O]+ 297.098760 162.8
[M+HCOO]- 359.099701 197.5
[M+CH3COO]- 373.115351 211.8
[M+Na-2H]- 335.076166 175.2
[M]+ 314.10095142 168.3
[M]- 314.10204858 168.3
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.