CID 24844155

Brn 4502193

Structural Information

Molecular Formula
C16H18N4
SMILES
C1CN2CC3=C(CC2CN1CC#N)C4=CC=CC=C4N3
InChI
InChI=1S/C16H18N4/c17-5-6-19-7-8-20-11-16-14(9-12(20)10-19)13-3-1-2-4-15(13)18-16/h1-4,12,18H,6-11H2
InChIKey
GYDLLGTTXWCUOW-UHFFFAOYSA-N
Compound name
2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15314 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 170.7
[M+Na]+ 289.14236 183.2
[M+NH4]+ 284.18696 176.1
[M+K]+ 305.11630 173.2
[M-H]- 265.14586 165.2
[M+Na-2H]- 287.12781 171.2
[M]+ 266.15259 170.1
[M]- 266.15369 170.1
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

No patent data available for this compound.