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

94
Patents

322.14297 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 174.6
[M+Na]+ 345.13219 181.9
[M-H]- 321.13569 183.5
[M+NH4]+ 340.17679 186.7
[M+K]+ 361.10613 176.8
[M+H-H2O]+ 305.14023 165.0
[M+HCOO]- 367.14117 200.7
[M+CH3COO]- 381.15682 218.9
[M+Na-2H]- 343.11764 177.3
[M]+ 322.14242 170.9
[M]- 322.14352 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