CID 137520242

Remlifanserin

Structural Information

Molecular Formula
C24H29F2N3O2
SMILES
CN1CCC(CC1)N(CC2=C(C=C(C=C2)F)F)C(=O)NCC3=CC=C(C=C3)OC4CC4
InChI
InChI=1S/C24H29F2N3O2/c1-28-12-10-20(11-13-28)29(16-18-4-5-19(25)14-23(18)26)24(30)27-15-17-2-6-21(7-3-17)31-22-8-9-22/h2-7,14,20,22H,8-13,15-16H2,1H3,(H,27,30)
InChIKey
UYRCLXJMWZFKDG-UHFFFAOYSA-N
Compound name
3-[(4-cyclopropyloxyphenyl)methyl]-1-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

429.22278 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.230056 197.2
[M+Na]+ 452.211998 201.4
[M-H]- 428.215504 206.0
[M+NH4]+ 447.256603 200.5
[M+K]+ 468.185938 196.0
[M+H-H2O]+ 412.220040 184.6
[M+HCOO]- 474.220981 214.8
[M+CH3COO]- 488.236631 236.8
[M+Na-2H]- 450.197446 195.5
[M]+ 429.22223142 195.2
[M]- 429.22332858 195.2
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

patents stripe