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]+ 296.212106 172.2
[M+Na]+ 318.194048 179.5
[M-H]- 294.197554 173.4
[M+NH4]+ 313.238653 190.4
[M+K]+ 334.167988 171.8
[M+H-H2O]+ 278.202090 163.3
[M+HCOO]- 340.203031 182.7
[M+CH3COO]- 354.218681 181.1
[M+Na-2H]- 316.179496 172.3
[M]+ 295.20428142 167.5
[M]- 295.20537858 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.