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 172.2
[M+Na]+ 318.19405 179.5
[M-H]- 294.19755 173.4
[M+NH4]+ 313.23865 190.4
[M+K]+ 334.16799 171.8
[M+H-H2O]+ 278.20209 163.3
[M+HCOO]- 340.20303 182.7
[M+CH3COO]- 354.21868 181.1
[M+Na-2H]- 316.17950 172.3
[M]+ 295.20428 167.5
[M]- 295.20538 167.5
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.