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

9480
Patents

288.15863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 165.8
[M+Na]+ 311.147848 172.1
[M-H]- 287.151354 171.2
[M+NH4]+ 306.192453 179.5
[M+K]+ 327.121788 168.1
[M+H-H2O]+ 271.155890 157.1
[M+HCOO]- 333.156831 191.7
[M+CH3COO]- 347.172481 212.5
[M+Na-2H]- 309.133296 168.0
[M]+ 288.15808142 163.0
[M]- 288.15917858 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

literature stripe

Patent stripe

patents stripe