CID 9928929

Dtxsid20892449

Structural Information

Molecular Formula
C18H26N4O4
SMILES
C1=CC(=C(C=C1N)OCCOCCOCCOC2=C(C=CC(=C2)N)N)N
InChI
InChI=1S/C18H26N4O4/c19-13-1-3-15(21)17(11-13)25-9-7-23-5-6-24-8-10-26-18-12-14(20)2-4-16(18)22/h1-4,11-12H,5-10,19-22H2
InChIKey
DMUXRIHPNREBPF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2,5-diaminophenoxy)ethoxy]ethoxy]ethoxy]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5234
Patents

362.1954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20268 182.9
[M+Na]+ 385.18462 187.3
[M-H]- 361.18812 187.5
[M+NH4]+ 380.22922 193.3
[M+K]+ 401.15856 184.2
[M+H-H2O]+ 345.19266 172.9
[M+HCOO]- 407.19360 208.1
[M+CH3COO]- 421.20925 226.1
[M+Na-2H]- 383.17007 183.9
[M]+ 362.19485 183.8
[M]- 362.19595 183.8
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