CID 494826

108206-27-5

Structural Information

Molecular Formula
C20H27N3
SMILES
CCCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45
InChI
InChI=1S/C20H27N3/c1-2-7-18-22-12-6-5-10-17(22)20-19-15(11-13-23(18)20)14-8-3-4-9-16(14)21-19/h3-4,8-9,17-18,20-21H,2,5-7,10-13H2,1H3
InChIKey
VZHGEXFEHRBJJW-UHFFFAOYSA-N
Compound name
9-propyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 177.5
[M+Na]+ 332.20972 189.7
[M+NH4]+ 327.25432 187.5
[M+K]+ 348.18366 184.4
[M-H]- 308.21322 180.0
[M+Na-2H]- 330.19517 178.6
[M]+ 309.21995 179.9
[M]- 309.22105 179.9
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.