CID 494837

Brn 4209542

Structural Information

Molecular Formula
C22H24N4
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=N5)C6=CC=CC=C6N4
InChI
InChI=1S/C22H24N4/c1-2-8-17-15(7-1)16-11-14-26-21(20(16)24-17)19-10-4-6-13-25(19)22(26)18-9-3-5-12-23-18/h1-3,5,7-9,12,19,21-22,24H,4,6,10-11,13-14H2
InChIKey
VZXICYSIGYOTKX-UHFFFAOYSA-N
Compound name
9-pyridin-2-yl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20738 185.1
[M+Na]+ 367.18932 199.7
[M+NH4]+ 362.23392 195.0
[M+K]+ 383.16326 193.8
[M-H]- 343.19282 189.5
[M+Na-2H]- 365.17477 189.1
[M]+ 344.19955 188.5
[M]- 344.20065 188.5
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.