CID 117774

Einecs 247-605-8

Structural Information

Molecular Formula
C14H13N5O3
SMILES
CC(=O)NC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N5O3/c1-9(20)16-14-8-10(15)2-7-13(14)18-17-11-3-5-12(6-4-11)19(21)22/h2-8H,15H2,1H3,(H,16,20)
InChIKey
XXYYNENTYVDRBE-UHFFFAOYSA-N
Compound name
N-[5-amino-2-[(4-nitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

299.10184 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10912 163.5
[M+Na]+ 322.09106 168.5
[M-H]- 298.09456 172.6
[M+NH4]+ 317.13566 177.2
[M+K]+ 338.06500 162.5
[M+H-H2O]+ 282.09910 158.4
[M+HCOO]- 344.10004 194.5
[M+CH3COO]- 358.11569 210.8
[M+Na-2H]- 320.07651 171.0
[M]+ 299.10129 161.4
[M]- 299.10239 161.4
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