CID 3066176

O-phenylenediamine, 4,4'-pentamethylenedioxybis-

Structural Information

Molecular Formula
C17H24N4O2
SMILES
C1=CC(=C(C=C1OCCCCCOC2=CC(=C(C=C2)N)N)N)N
InChI
InChI=1S/C17H24N4O2/c18-14-6-4-12(10-16(14)20)22-8-2-1-3-9-23-13-5-7-15(19)17(21)11-13/h4-7,10-11H,1-3,8-9,18-21H2
InChIKey
JVJALUWIKDCMKQ-UHFFFAOYSA-N
Compound name
4-[5-(3,4-diaminophenoxy)pentoxy]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 174.4
[M+Na]+ 339.17912 179.8
[M-H]- 315.18262 179.3
[M+NH4]+ 334.22372 187.0
[M+K]+ 355.15306 175.4
[M+H-H2O]+ 299.18716 165.3
[M+HCOO]- 361.18810 199.6
[M+CH3COO]- 375.20375 218.5
[M+Na-2H]- 337.16457 175.6
[M]+ 316.18935 172.2
[M]- 316.19045 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.