CID 13981

1052-38-6

Structural Information

Molecular Formula
C18H18N8
SMILES
C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N
InChI
InChI=1S/C18H18N8/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22/h1-10H,19-22H2
InChIKey
BDFZFGDTHFGWRQ-UHFFFAOYSA-N
Compound name
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3077
Patents

346.16544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17272 184.4
[M+Na]+ 369.15466 194.9
[M+NH4]+ 364.19926 191.3
[M+K]+ 385.12860 187.4
[M-H]- 345.15816 195.8
[M+Na-2H]- 367.14011 194.9
[M]+ 346.16489 188.7
[M]- 346.16599 188.7
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