CID 361903

Nsc625315

Structural Information

Molecular Formula
C19H22N2
SMILES
CC1=CC(=C2C(=C1)CN3CN2CC4=CC(=CC(=C43)C)C)C
InChI
InChI=1S/C19H22N2/c1-12-5-14(3)18-16(7-12)9-20-11-21(18)10-17-8-13(2)6-15(4)19(17)20/h5-8H,9-11H2,1-4H3
InChIKey
AZSVNAWGILSLCD-UHFFFAOYSA-N
Compound name
3,5,11,13-tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.17828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 169.4
[M+Na]+ 301.16750 179.1
[M-H]- 277.17100 171.4
[M+NH4]+ 296.21210 187.2
[M+K]+ 317.14144 172.5
[M+H-H2O]+ 261.17554 160.2
[M+HCOO]- 323.17648 182.2
[M+CH3COO]- 337.19213 179.9
[M+Na-2H]- 299.15295 174.5
[M]+ 278.17773 169.4
[M]- 278.17883 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

literature stripe

Patent stripe

patents stripe