CID 139489486

2376389-33-0

Structural Information

Molecular Formula
C15H10ClF3N4O2
SMILES
COC1=CNC(=O)C=C1C2=C(C=CC(=C2)Cl)N3C=C(N=N3)C(F)(F)F
InChI
InChI=1S/C15H10ClF3N4O2/c1-25-12-6-20-14(24)5-10(12)9-4-8(16)2-3-11(9)23-7-13(21-22-23)15(17,18)19/h2-7H,1H3,(H,20,24)
InChIKey
ASMGZJJSJBTIQV-UHFFFAOYSA-N
Compound name
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

370.04443 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05171 179.2
[M+Na]+ 393.03365 191.8
[M-H]- 369.03715 180.0
[M+NH4]+ 388.07825 188.2
[M+K]+ 409.00759 183.6
[M+H-H2O]+ 353.04169 166.6
[M+HCOO]- 415.04263 189.2
[M+CH3COO]- 429.05828 210.0
[M+Na-2H]- 391.01910 180.7
[M]+ 370.04388 179.3
[M]- 370.04498 179.3
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

patents stripe