CID 147922

125880-78-6

Structural Information

Molecular Formula
C16H20N6O2
SMILES
C1=CC(=C(C=C1C(=N)N)N)OCCOC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C16H20N6O2/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6,17-18H2,(H3,19,20)(H3,21,22)
InChIKey
YHZGQADCZYIQNO-UHFFFAOYSA-N
Compound name
3-amino-4-[2-(2-amino-4-carbamimidoylphenoxy)ethoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

328.16476 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17204 175.4
[M+Na]+ 351.15398 179.5
[M-H]- 327.15748 180.7
[M+NH4]+ 346.19858 186.3
[M+K]+ 367.12792 176.1
[M+H-H2O]+ 311.16202 166.0
[M+HCOO]- 373.16296 201.1
[M+CH3COO]- 387.17861 227.3
[M+Na-2H]- 349.13943 175.6
[M]+ 328.16421 168.9
[M]- 328.16531 168.9
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

No patent data available for this compound.