CID 96213

Niazo

Structural Information

Molecular Formula
C14H18N6O
SMILES
CCCCOC1=NC=C(C=C1)N=NC2=C(N=C(C=C2)N)N
InChI
InChI=1S/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)
InChIKey
WAWDOEHEAULMGC-UHFFFAOYSA-N
Compound name
3-[(6-butoxypyridin-3-yl)diazenyl]pyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

844
Patents

286.1542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16148 165.7
[M+Na]+ 309.14342 172.9
[M-H]- 285.14692 171.9
[M+NH4]+ 304.18802 178.6
[M+K]+ 325.11736 169.5
[M+H-H2O]+ 269.15146 155.0
[M+HCOO]- 331.15240 193.7
[M+CH3COO]- 345.16805 215.5
[M+Na-2H]- 307.12887 172.6
[M]+ 286.15365 166.6
[M]- 286.15475 166.6
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