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
8
Annotation Hits

347
References

20794
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

literature stripe

Patent stripe

patents stripe