CID 195376

122955-18-4

Structural Information

Molecular Formula
C23H18N4
SMILES
C1=CC2=C(C3=C(C2(CC4=CC=NC=C4)CC5=CC=NC=C5)C=CC=N3)N=C1
InChI
InChI=1S/C23H18N4/c1-3-19-21(26-9-1)22-20(4-2-10-27-22)23(19,15-17-5-11-24-12-6-17)16-18-7-13-25-14-8-18/h1-14H,15-16H2
InChIKey
FJYRSJDIZKTXKB-UHFFFAOYSA-N
Compound name
8,8-bis(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

374
Patents

350.15314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.160416 186.5
[M+Na]+ 373.142358 195.9
[M-H]- 349.145864 192.5
[M+NH4]+ 368.186963 198.6
[M+K]+ 389.116298 186.9
[M+H-H2O]+ 333.150400 172.7
[M+HCOO]- 395.151341 203.5
[M+CH3COO]- 409.166991 195.7
[M+Na-2H]- 371.127806 193.5
[M]+ 350.15259142 186.6
[M]- 350.15368858 186.6
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