CID 371228

Nsc645285

Structural Information

Molecular Formula
C18H15N
SMILES
C1CC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1
InChI
InChI=1S/C18H15N/c1-3-10-16-13(6-1)8-5-9-15-12-14-7-2-4-11-17(14)19-18(15)16/h1-4,6-7,10-12H,5,8-9H2
InChIKey
WHIFSYKDTNFOTO-UHFFFAOYSA-N
Compound name
19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.12045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12773 154.2
[M+Na]+ 268.10967 162.2
[M-H]- 244.11317 160.2
[M+NH4]+ 263.15427 172.3
[M+K]+ 284.08361 159.3
[M+H-H2O]+ 228.11771 148.2
[M+HCOO]- 290.11865 172.1
[M+CH3COO]- 304.13430 165.8
[M+Na-2H]- 266.09512 163.8
[M]+ 245.11990 150.4
[M]- 245.12100 150.4
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.