CID 13981

C.i. basic brown 1

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

3099
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 178.2
[M+Na]+ 369.15466 184.9
[M-H]- 345.15816 192.1
[M+NH4]+ 364.19926 190.7
[M+K]+ 385.12860 181.4
[M+H-H2O]+ 329.16270 166.6
[M+HCOO]- 391.16364 213.7
[M+CH3COO]- 405.17929 241.6
[M+Na-2H]- 367.14011 184.7
[M]+ 346.16489 175.0
[M]- 346.16599 175.0
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