CID 135313320

1-methyl-n-{2-[2-(trifluoromethyl)phenyl]-1h-indol-6-yl}-1h-1,2,4-triazole-5-carboxamide

Structural Information

Molecular Formula
C19H14F3N5O
SMILES
CN1C(=NC=N1)C(=O)NC2=CC3=C(C=C2)C=C(N3)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C19H14F3N5O/c1-27-17(23-10-24-27)18(28)25-12-7-6-11-8-16(26-15(11)9-12)13-4-2-3-5-14(13)19(20,21)22/h2-10,26H,1H3,(H,25,28)
InChIKey
SIVLPTHXGYYTPR-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

385.11505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12233 186.2
[M+Na]+ 408.10427 196.7
[M-H]- 384.10777 188.8
[M+NH4]+ 403.14887 196.1
[M+K]+ 424.07821 188.8
[M+H-H2O]+ 368.11231 174.0
[M+HCOO]- 430.11325 201.7
[M+CH3COO]- 444.12890 195.2
[M+Na-2H]- 406.08972 187.7
[M]+ 385.11450 184.1
[M]- 385.11560 184.1
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

patents stripe