CID 53114216

1-(3-chloro-4-methylphenyl)-3-[2-(4-fluorophenyl)-1h-indol-3-yl]urea

Structural Information

Molecular Formula
C22H17ClFN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C22H17ClFN3O/c1-13-6-11-16(12-18(13)23)25-22(28)27-21-17-4-2-3-5-19(17)26-20(21)14-7-9-15(24)10-8-14/h2-12,26H,1H3,(H2,25,27,28)
InChIKey
HHGPOCDRCVKLOT-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10443 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11171 192.0
[M+Na]+ 416.09365 201.9
[M-H]- 392.09715 199.7
[M+NH4]+ 411.13825 204.5
[M+K]+ 432.06759 192.6
[M+H-H2O]+ 376.10169 182.2
[M+HCOO]- 438.10263 209.8
[M+CH3COO]- 452.11828 201.9
[M+Na-2H]- 414.07910 194.2
[M]+ 393.10388 193.2
[M]- 393.10498 193.2
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.