CID 71306708

706753-75-5

Structural Information

Molecular Formula
C16H13N3
SMILES
C1C2=CC=CC=C2C3=CN=C(N3C4=CC=CC=C41)N
InChI
InChI=1S/C16H13N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,10H,9H2,(H2,17,18)
InChIKey
HQGAYYUSWZSGDC-UHFFFAOYSA-N
Compound name
2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.118226 155.5
[M+Na]+ 270.100168 165.5
[M-H]- 246.103674 161.1
[M+NH4]+ 265.144773 174.0
[M+K]+ 286.074108 162.5
[M+H-H2O]+ 230.108210 148.5
[M+HCOO]- 292.109151 175.5
[M+CH3COO]- 306.124801 167.6
[M+Na-2H]- 268.085616 163.1
[M]+ 247.11040142 152.8
[M]- 247.11149858 152.8
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