CID 375971

Nsc656337

Structural Information

Molecular Formula
C15H15N5O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO
InChI
InChI=1S/C15H15N5O2/c21-8-9-22-11-20-15(13-10-16-6-7-17-13)18-14(19-20)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2
InChIKey
NLVPWMWFABYVAA-UHFFFAOYSA-N
Compound name
2-[(3-phenyl-5-pyrazin-2-yl-1,2,4-triazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1226 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12988 167.7
[M+Na]+ 320.11182 176.2
[M-H]- 296.11532 169.8
[M+NH4]+ 315.15642 176.5
[M+K]+ 336.08576 170.5
[M+H-H2O]+ 280.11986 155.7
[M+HCOO]- 342.12080 185.7
[M+CH3COO]- 356.13645 177.4
[M+Na-2H]- 318.09727 172.8
[M]+ 297.12205 169.2
[M]- 297.12315 169.2
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.