CID 15563266

59468-73-4

Structural Information

Molecular Formula
C18H15ClFN3O
SMILES
CC1=NC=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3F)CN
InChI
InChI=1S/C18H15ClFN3O/c1-11-22-10-13(9-21)23(11)17-7-6-12(19)8-15(17)18(24)14-4-2-3-5-16(14)20/h2-8,10H,9,21H2,1H3
InChIKey
COTXNHRMGDCVDD-UHFFFAOYSA-N
Compound name
[2-[5-(aminomethyl)-2-methylimidazol-1-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

343.08878 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09606 179.3
[M+Na]+ 366.07800 189.8
[M-H]- 342.08150 185.5
[M+NH4]+ 361.12260 192.3
[M+K]+ 382.05194 182.0
[M+H-H2O]+ 326.08604 169.1
[M+HCOO]- 388.08698 195.8
[M+CH3COO]- 402.10263 190.1
[M+Na-2H]- 364.06345 178.4
[M]+ 343.08823 180.6
[M]- 343.08933 180.6
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