CID 5276261

(2,4-dimethyl-3-furyl)-(1-phenyltriazol-4-yl)methanone

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=COC(=C1C(=O)C2=CN(N=N2)C3=CC=CC=C3)C
InChI
InChI=1S/C15H13N3O2/c1-10-9-20-11(2)14(10)15(19)13-8-18(17-16-13)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
ZMMWESUOUVCSLH-UHFFFAOYSA-N
Compound name
(2,4-dimethylfuran-3-yl)-(1-phenyltriazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 158.1
[M+Na]+ 290.08999 169.2
[M-H]- 266.09349 166.4
[M+NH4]+ 285.13459 172.8
[M+K]+ 306.06393 166.3
[M+H-H2O]+ 250.09803 149.3
[M+HCOO]- 312.09897 181.2
[M+CH3COO]- 326.11462 171.6
[M+Na-2H]- 288.07544 160.5
[M]+ 267.10022 162.9
[M]- 267.10132 162.9
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.