CID 6900064

2-(1-methyl-1h-pyrrol-2-yl)-n'-(2-(trifluoromethyl)benzylidene)acetohydrazide

Structural Information

Molecular Formula
C15H14F3N3O
SMILES
CN1C=CC=C1CC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C15H14F3N3O/c1-21-8-4-6-12(21)9-14(22)20-19-10-11-5-2-3-7-13(11)15(16,17)18/h2-8,10H,9H2,1H3,(H,20,22)/b19-10+
InChIKey
SURMVQIYEDTOQN-VXLYETTFSA-N
Compound name
2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11618 167.8
[M+Na]+ 332.09812 175.4
[M-H]- 308.10162 170.9
[M+NH4]+ 327.14272 183.1
[M+K]+ 348.07206 171.0
[M+H-H2O]+ 292.10616 156.9
[M+HCOO]- 354.10710 189.7
[M+CH3COO]- 368.12275 209.9
[M+Na-2H]- 330.08357 170.6
[M]+ 309.10835 165.0
[M]- 309.10945 165.0
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.