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]+ 310.116176 167.8
[M+Na]+ 332.098118 175.4
[M-H]- 308.101624 170.9
[M+NH4]+ 327.142723 183.1
[M+K]+ 348.072058 171.0
[M+H-H2O]+ 292.106160 156.9
[M+HCOO]- 354.107101 189.7
[M+CH3COO]- 368.122751 209.9
[M+Na-2H]- 330.083566 170.6
[M]+ 309.10835142 165.0
[M]- 309.10944858 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.