CID 4756

Phenazopyridine

Structural Information

Molecular Formula
C11H11N5
SMILES
C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N
InChI
InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)
InChIKey
QPFYXYFORQJZEC-UHFFFAOYSA-N
Compound name
3-phenyldiazenylpyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

348
References

21374
Patents

213.10144 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10872 144.2
[M+Na]+ 236.09066 152.0
[M-H]- 212.09416 152.0
[M+NH4]+ 231.13526 161.2
[M+K]+ 252.06460 148.8
[M+H-H2O]+ 196.09870 135.0
[M+HCOO]- 258.09964 174.4
[M+CH3COO]- 272.11529 200.2
[M+Na-2H]- 234.07611 153.2
[M]+ 213.10089 141.8
[M]- 213.10199 141.8
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.