CID 375975

Nsc656341

Structural Information

Molecular Formula
C20H17N5O
SMILES
COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4
InChI
InChI=1S/C20H17N5O/c1-26-17-9-7-16(8-10-17)19-23-20(18-13-21-11-12-22-18)25(24-19)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKey
ZLVVKQSKGPHZJX-UHFFFAOYSA-N
Compound name
2-[2-benzyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1433 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15058 182.4
[M+Na]+ 366.13252 191.3
[M-H]- 342.13602 188.8
[M+NH4]+ 361.17712 189.6
[M+K]+ 382.10646 183.7
[M+H-H2O]+ 326.14056 168.7
[M+HCOO]- 388.14150 200.8
[M+CH3COO]- 402.15715 191.8
[M+Na-2H]- 364.11797 186.5
[M]+ 343.14275 183.5
[M]- 343.14385 183.5
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.