CID 64948

Phenamidine

Structural Information

Molecular Formula
C14H14N4O
SMILES
C1=CC(=CC=C1C(=N)N)OC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C14H14N4O/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)
InChIKey
DMABBVCVVXMJDH-UHFFFAOYSA-N
Compound name
4-(4-carbamimidoylphenoxy)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

401
Patents

254.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 157.0
[M+Na]+ 277.105978 162.0
[M-H]- 253.109484 163.0
[M+NH4]+ 272.150583 171.8
[M+K]+ 293.079918 158.1
[M+H-H2O]+ 237.114020 148.7
[M+HCOO]- 299.114961 182.7
[M+CH3COO]- 313.130611 205.9
[M+Na-2H]- 275.091426 160.7
[M]+ 254.11621142 150.9
[M]- 254.11730858 150.9
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