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

2
Patents

247.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 155.5
[M+Na]+ 270.10017 165.5
[M-H]- 246.10367 161.1
[M+NH4]+ 265.14477 174.0
[M+K]+ 286.07411 162.5
[M+H-H2O]+ 230.10821 148.5
[M+HCOO]- 292.10915 175.5
[M+CH3COO]- 306.12480 167.6
[M+Na-2H]- 268.08562 163.1
[M]+ 247.11040 152.8
[M]- 247.11150 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