CID 59546683

5-(m-tolyl)-5h-pyrrolo[3,2-c:4,5-c']dipyridine

Structural Information

Molecular Formula
C17H13N3
SMILES
CC1=CC(=CC=C1)N2C3=C(C=NC=C3)C4=C2C=CN=C4
InChI
InChI=1S/C17H13N3/c1-12-3-2-4-13(9-12)20-16-5-7-18-10-14(16)15-11-19-8-6-17(15)20/h2-11H,1H3
InChIKey
WAQDNMLJAYQJRN-UHFFFAOYSA-N
Compound name
8-(3-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.11096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11824 159.0
[M+Na]+ 282.10018 177.7
[M+NH4]+ 277.14478 169.0
[M+K]+ 298.07412 169.6
[M-H]- 258.10368 164.3
[M+Na-2H]- 280.08563 169.6
[M]+ 259.11041 163.5
[M]- 259.11151 163.5
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

patents stripe