CID 13467648

1,3-dihydro-1'-acetyl-5-fluorospiro(2h-benzimidazole-2,3'-(3h)indol)-2'(1'h)-one

Structural Information

Molecular Formula
C16H12FN3O2
SMILES
CC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C16H12FN3O2/c1-9(21)20-14-5-3-2-4-11(14)16(15(20)22)18-12-7-6-10(17)8-13(12)19-16/h2-8,18-19H,1H3
InChIKey
UBKPKLAEPPOXKH-UHFFFAOYSA-N
Compound name
1'-acetyl-5-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.09137 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09865 168.3
[M+Na]+ 320.08059 179.3
[M-H]- 296.08409 169.4
[M+NH4]+ 315.12519 186.4
[M+K]+ 336.05453 172.1
[M+H-H2O]+ 280.08863 160.1
[M+HCOO]- 342.08957 182.0
[M+CH3COO]- 356.10522 178.7
[M+Na-2H]- 318.06604 169.4
[M]+ 297.09082 164.9
[M]- 297.09192 164.9
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

No patent data available for this compound.