CID 147923

125880-79-7

Structural Information

Molecular Formula
C17H22N6O2
SMILES
C1=CC(=C(C=C1C(=N)N)N)OCCCOC2=C(C=C(C=C2)C(=N)N)N
InChI
InChI=1S/C17H22N6O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,18-19H2,(H3,20,21)(H3,22,23)
InChIKey
NYLBUISIAAYGKT-UHFFFAOYSA-N
Compound name
3-amino-4-[3-(2-amino-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

342.18042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18770 179.5
[M+Na]+ 365.16964 183.2
[M-H]- 341.17314 184.6
[M+NH4]+ 360.21424 189.9
[M+K]+ 381.14358 179.6
[M+H-H2O]+ 325.17768 169.9
[M+HCOO]- 387.17862 204.9
[M+CH3COO]- 401.19427 230.3
[M+Na-2H]- 363.15509 179.3
[M]+ 342.17987 173.4
[M]- 342.18097 173.4
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.