CID 4350931

Le 300

Structural Information

Molecular Formula
C20H22N2
SMILES
CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3
InChI
InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
InChIKey
YEWGIGCYIAMFMA-UHFFFAOYSA-N
Compound name
11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

12
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 167.6
[M+Na]+ 313.16750 182.9
[M+NH4]+ 308.21210 177.0
[M+K]+ 329.14144 174.8
[M-H]- 289.17100 171.6
[M+Na-2H]- 311.15295 174.1
[M]+ 290.17773 170.9
[M]- 290.17883 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe