CID 44139921

1041928-17-9

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)N)N)OC3=C(C=C(C=C3)N)N
InChI
InChI=1S/C18H18N4O2/c19-11-1-7-17(15(21)9-11)23-13-3-5-14(6-4-13)24-18-8-2-12(20)10-16(18)22/h1-10H,19-22H2
InChIKey
MOIKCNRNYNKVGS-UHFFFAOYSA-N
Compound name
4-[4-(2,4-diaminophenoxy)phenoxy]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

322.14297 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 174.6
[M+Na]+ 345.132188 181.9
[M-H]- 321.135694 183.5
[M+NH4]+ 340.176793 186.7
[M+K]+ 361.106128 176.8
[M+H-H2O]+ 305.140230 165.0
[M+HCOO]- 367.141171 200.7
[M+CH3COO]- 381.156821 218.9
[M+Na-2H]- 343.117636 177.3
[M]+ 322.14242142 170.9
[M]- 322.14351858 170.9
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

patents stripe