CID 142414614

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

Structural Information

Molecular Formula
C19H15F2N5O
SMILES
CN1C(=NC=N1)C(=O)NC2=CC3=C(C=C2)C=C(N3)C4=CC=CC=C4C(F)F
InChI
InChI=1S/C19H15F2N5O/c1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h2-10,17,25H,1H3,(H,24,27)
InChIKey
RAKCPYDTSAOOBF-UHFFFAOYSA-N
Compound name
N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.12448 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13176 181.9
[M+Na]+ 390.11370 191.6
[M-H]- 366.11720 185.5
[M+NH4]+ 385.15830 192.3
[M+K]+ 406.08764 184.1
[M+H-H2O]+ 350.12174 170.0
[M+HCOO]- 412.12268 199.2
[M+CH3COO]- 426.13833 191.3
[M+Na-2H]- 388.09915 182.0
[M]+ 367.12393 180.9
[M]- 367.12503 180.9
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