CID 6419119

1-piperazineethanol, 4-(5-methyl-5h-1,2,4-triazino[5,6-b]indol-3-yl)-

Structural Information

Molecular Formula
C16H20N6O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)N4CCN(CC4)CCO
InChI
InChI=1S/C16H20N6O/c1-20-13-5-3-2-4-12(13)14-15(20)17-16(19-18-14)22-8-6-21(7-9-22)10-11-23/h2-5,23H,6-11H2,1H3
InChIKey
PEKZWZPYWRZKNS-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.16986 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17714 178.2
[M+Na]+ 335.15908 187.7
[M-H]- 311.16258 177.5
[M+NH4]+ 330.20368 187.7
[M+K]+ 351.13302 180.4
[M+H-H2O]+ 295.16712 166.3
[M+HCOO]- 357.16806 189.5
[M+CH3COO]- 371.18371 186.5
[M+Na-2H]- 333.14453 181.9
[M]+ 312.16931 177.4
[M]- 312.17041 177.4
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.