CID 494825

108206-26-4

Structural Information

Molecular Formula
C19H25N3
SMILES
CCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45
InChI
InChI=1S/C19H25N3/c1-2-17-21-11-6-5-9-16(21)19-18-14(10-12-22(17)19)13-7-3-4-8-15(13)20-18/h3-4,7-8,16-17,19-20H,2,5-6,9-12H2,1H3
InChIKey
WETNQTVELGGQDM-UHFFFAOYSA-N
Compound name
9-ethyl-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

295.20483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 173.1
[M+Na]+ 318.19405 185.4
[M+NH4]+ 313.23865 183.1
[M+K]+ 334.16799 180.4
[M-H]- 294.19755 175.5
[M+Na-2H]- 316.17950 174.3
[M]+ 295.20428 175.5
[M]- 295.20538 175.5
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.