CID 64948

Benzamidine, 4,4'-oxydi-, dihydrochloride

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
1
Annotation Hits

11
References

395
Patents

254.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 157.0
[M+Na]+ 277.10598 162.0
[M-H]- 253.10948 163.0
[M+NH4]+ 272.15058 171.8
[M+K]+ 293.07992 158.1
[M+H-H2O]+ 237.11402 148.7
[M+HCOO]- 299.11496 182.7
[M+CH3COO]- 313.13061 205.9
[M+Na-2H]- 275.09143 160.7
[M]+ 254.11621 150.9
[M]- 254.11731 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