CID 46220503

Landipirdine

Structural Information

Molecular Formula
C18H19FN2O3S
SMILES
C1C[C@H](C2=C(C1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)F)CNC(=O)N
InChI
InChI=1S/C18H19FN2O3S/c19-14-5-2-6-15(10-14)25(23,24)16-7-8-17-12(9-16)3-1-4-13(17)11-21-18(20)22/h2,5-10,13H,1,3-4,11H2,(H3,20,21,22)/t13-/m0/s1
InChIKey
MTTHRRVVGMPYQG-ZDUSSCGKSA-N
Compound name
[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

130
Patents

362.11005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11733 179.8
[M+Na]+ 385.09927 185.5
[M-H]- 361.10277 184.6
[M+NH4]+ 380.14387 192.5
[M+K]+ 401.07321 179.9
[M+H-H2O]+ 345.10731 171.1
[M+HCOO]- 407.10825 193.3
[M+CH3COO]- 421.12390 216.4
[M+Na-2H]- 383.08472 182.3
[M]+ 362.10950 177.3
[M]- 362.11060 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe