CID 13467650

93500-62-0

Structural Information

Molecular Formula
C17H12F3N3O2
SMILES
CC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C17H12F3N3O2/c1-9(24)23-14-5-3-2-4-11(14)16(15(23)25)21-12-7-6-10(17(18,19)20)8-13(12)22-16/h2-8,21-22H,1H3
InChIKey
ZYVKZNWPFWLLLX-UHFFFAOYSA-N
Compound name
1'-acetyl-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.08817 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09545 179.7
[M+Na]+ 370.07739 190.7
[M-H]- 346.08089 178.3
[M+NH4]+ 365.12199 195.8
[M+K]+ 386.05133 183.1
[M+H-H2O]+ 330.08543 170.5
[M+HCOO]- 392.08637 189.3
[M+CH3COO]- 406.10202 188.7
[M+Na-2H]- 368.06284 180.3
[M]+ 347.08762 174.1
[M]- 347.08872 174.1
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

No patent data available for this compound.