CID 391344

Nsc690374

Structural Information

Molecular Formula
C17H15N3
SMILES
C1CCC2=CN3C4=CC=CC=C4N=C3C(=C2CC1)C#N
InChI
InChI=1S/C17H15N3/c18-10-14-13-7-3-1-2-6-12(13)11-20-16-9-5-4-8-15(16)19-17(14)20/h4-5,8-9,11H,1-3,6-7H2
InChIKey
VNIDBBJOCNJGGW-UHFFFAOYSA-N
Compound name
11,18-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(18),2,9,12,14,16-hexaene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 162.1
[M+Na]+ 284.11582 174.0
[M-H]- 260.11932 165.7
[M+NH4]+ 279.16042 178.3
[M+K]+ 300.08976 166.5
[M+H-H2O]+ 244.12386 148.7
[M+HCOO]- 306.12480 176.6
[M+CH3COO]- 320.14045 172.0
[M+Na-2H]- 282.10127 167.4
[M]+ 261.12605 154.9
[M]- 261.12715 154.9
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.