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 167.0
[M+Na]+ 315.15802 172.6
[M-H]- 291.16152 170.9
[M+NH4]+ 310.20262 181.3
[M+K]+ 331.13196 170.4
[M+H-H2O]+ 275.16606 158.8
[M+HCOO]- 337.16700 181.6
[M+CH3COO]- 351.18265 176.0
[M+Na-2H]- 313.14347 173.4
[M]+ 292.16825 158.3
[M]- 292.16935 158.3
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.