CID 400926

Nsc713610

Structural Information

Molecular Formula
C21H21N5
SMILES
C1CCN(CC1)CC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C21H21N5/c1-3-9-16(10-4-1)20-21-24-23-19(15-25-13-7-2-8-14-25)26(21)18-12-6-5-11-17(18)22-20/h1,3-6,9-12H,2,7-8,13-15H2
InChIKey
HGOZUXATDGBIDU-UHFFFAOYSA-N
Compound name
4-phenyl-1-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 184.3
[M+Na]+ 366.16892 192.2
[M-H]- 342.17242 188.3
[M+NH4]+ 361.21352 193.4
[M+K]+ 382.14286 183.5
[M+H-H2O]+ 326.17696 170.4
[M+HCOO]- 388.17790 197.6
[M+CH3COO]- 402.19355 192.3
[M+Na-2H]- 364.15437 188.6
[M]+ 343.17915 181.6
[M]- 343.18025 181.6
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.