CID 135480776

2-cyclopentyl-1,2-dihydro-1,3,4,9-tetraaza-phenanthrene

Structural Information

Molecular Formula
C15H16N4
SMILES
C1CCC(C1)C2NC3=C(C4=CC=CC=C4N=C3)N=N2
InChI
InChI=1S/C15H16N4/c1-2-6-10(5-1)15-17-13-9-16-12-8-4-3-7-11(12)14(13)18-19-15/h3-4,7-10,15,17H,1-2,5-6H2
InChIKey
DATQIUTUTBGYFJ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-3,4-dihydro-[1,2,4]triazino[5,6-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1375 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 158.8
[M+Na]+ 275.12672 166.1
[M-H]- 251.13022 159.9
[M+NH4]+ 270.17132 173.0
[M+K]+ 291.10066 159.4
[M+H-H2O]+ 235.13476 148.1
[M+HCOO]- 297.13570 171.9
[M+CH3COO]- 311.15135 168.3
[M+Na-2H]- 273.11217 164.0
[M]+ 252.13695 153.2
[M]- 252.13805 153.2
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

No patent data available for this compound.