CID 121425461

Velufenacin

Structural Information

Molecular Formula
C19H20ClFN2O2
SMILES
CN1CC[C@H](C1)COC(=O)NC2=CC=CC=C2C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C19H20ClFN2O2/c1-23-9-8-13(11-23)12-25-19(24)22-18-5-3-2-4-15(18)14-6-7-17(21)16(20)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKey
SYBGVVSJNMTWCI-CYBMUJFWSA-N
Compound name
[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

21
Patents

362.11972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12700 185.0
[M+Na]+ 385.10894 192.1
[M-H]- 361.11244 191.9
[M+NH4]+ 380.15354 198.5
[M+K]+ 401.08288 185.7
[M+H-H2O]+ 345.11698 175.3
[M+HCOO]- 407.11792 200.5
[M+CH3COO]- 421.13357 214.6
[M+Na-2H]- 383.09439 183.4
[M]+ 362.11917 185.2
[M]- 362.12027 185.2
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