CID 132269

2-n-carboxamidinonormianserin

Structural Information

Molecular Formula
C18H20N4
SMILES
C1CN2C(CN1C(=N)N)C3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C18H20N4/c19-18(20)21-9-10-22-16-8-4-2-6-14(16)11-13-5-1-3-7-15(13)17(22)12-21/h1-8,17H,9-12H2,(H3,19,20)
InChIKey
RKLVCFOQSMXOMY-UHFFFAOYSA-N
Compound name
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

292.1688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17608 168.6
[M+Na]+ 315.15802 179.1
[M+NH4]+ 310.20262 176.8
[M+K]+ 331.13196 172.8
[M-H]- 291.16152 172.4
[M+Na-2H]- 313.14347 173.2
[M]+ 292.16825 171.1
[M]- 292.16935 171.1
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.