CID 208930

Erizepine

Structural Information

Molecular Formula
C20H22N2
SMILES
CN1CCC2=C(CC1)C3=CC=CC=C3N(C4=CC=CC=C24)C
InChI
InChI=1S/C20H22N2/c1-21-13-11-15-16(12-14-21)18-8-4-6-10-20(18)22(2)19-9-5-3-7-17(15)19/h3-10H,11-14H2,1-2H3
InChIKey
SGMXCAKSGHLWBE-UHFFFAOYSA-N
Compound name
8,18-dimethyl-8,18-diazatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2,4,6,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

290.17828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 173.8
[M+Na]+ 313.16750 183.5
[M-H]- 289.17100 180.4
[M+NH4]+ 308.21210 188.1
[M+K]+ 329.14144 180.6
[M+H-H2O]+ 273.17554 169.1
[M+HCOO]- 335.17648 187.4
[M+CH3COO]- 349.19213 183.2
[M+Na-2H]- 311.15295 178.7
[M]+ 290.17773 169.4
[M]- 290.17883 169.4
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.