CID 494838

Brn 4209613

Structural Information

Molecular Formula
C22H24N4
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=CN=CC=C5)C6=CC=CC=C6N4
InChI
InChI=1S/C22H24N4/c1-2-8-18-16(7-1)17-10-13-26-21(20(17)24-18)19-9-3-4-12-25(19)22(26)15-6-5-11-23-14-15/h1-2,5-8,11,14,19,21-22,24H,3-4,9-10,12-13H2
InChIKey
UNYHVNRWJOVJSI-UHFFFAOYSA-N
Compound name
9-pyridin-3-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 181.7
[M+Na]+ 367.18932 188.7
[M-H]- 343.19282 184.7
[M+NH4]+ 362.23392 195.7
[M+K]+ 383.16326 179.7
[M+H-H2O]+ 327.19736 170.3
[M+HCOO]- 389.19830 191.0
[M+CH3COO]- 403.21395 189.4
[M+Na-2H]- 365.17477 181.9
[M]+ 344.19955 176.0
[M]- 344.20065 176.0
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.