CID 624708

Dtxsid50871909

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC12CCCN(C1)CCC3=C(CC2)NC4=CC=CC=C34
InChI
InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3
InChIKey
FDNDLNFGITWTOZ-UHFFFAOYSA-N
Compound name
15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

282.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 198.7
[M+Na]+ 305.19882 196.8
[M-H]- 281.20232 197.2
[M+NH4]+ 300.24342 197.4
[M+K]+ 321.17276 196.5
[M+H-H2O]+ 265.20686 188.9
[M+HCOO]- 327.20780 198.0
[M+CH3COO]- 341.22345 198.5
[M+Na-2H]- 303.18427 199.3
[M]+ 282.20905 197.5
[M]- 282.21015 197.5
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