CID 9904042

81892-72-0

Structural Information

Molecular Formula
C15H20N4O2
SMILES
C1=CC(=C(C=C1N)N)OCCCOC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C15H20N4O2/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19/h2-5,8-9H,1,6-7,16-19H2
InChIKey
MWKPYVXITDAZLL-UHFFFAOYSA-N
Compound name
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9436
Patents

288.15863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 165.8
[M+Na]+ 311.14785 172.1
[M-H]- 287.15135 171.2
[M+NH4]+ 306.19245 179.5
[M+K]+ 327.12179 168.1
[M+H-H2O]+ 271.15589 157.1
[M+HCOO]- 333.15683 191.7
[M+CH3COO]- 347.17248 212.5
[M+Na-2H]- 309.13330 168.0
[M]+ 288.15808 163.0
[M]- 288.15918 163.0
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.