CID 108709

55425-38-2

Structural Information

Molecular Formula
C16H12N6
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N=NC4=NC=NN4
InChI
InChI=1S/C16H12N6/c1-2-6-11(7-3-1)14-15(20-22-16-17-10-18-21-16)12-8-4-5-9-13(12)19-14/h1-10,19H,(H,17,18,21)
InChIKey
XSGLLCJEBDKHPO-UHFFFAOYSA-N
Compound name
(2-phenyl-1H-indol-3-yl)-(1H-1,2,4-triazol-5-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.11234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11962 160.5
[M+Na]+ 311.10156 170.2
[M-H]- 287.10506 167.5
[M+NH4]+ 306.14616 174.3
[M+K]+ 327.07550 163.5
[M+H-H2O]+ 271.10960 149.6
[M+HCOO]- 333.11054 185.4
[M+CH3COO]- 347.12619 172.3
[M+Na-2H]- 309.08701 168.2
[M]+ 288.11179 160.6
[M]- 288.11289 160.6
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