CID 146170991

Hm01

Structural Information

Molecular Formula
C19H29Cl2N3O2
SMILES
C[C@@H](C1=C(C(=C(C=C1)OC)Cl)Cl)NC(=O)N(C)[C@@H]2CCN(CC2(C)C)C
InChI
InChI=1S/C19H29Cl2N3O2/c1-12(13-7-8-14(26-6)17(21)16(13)20)22-18(25)24(5)15-9-10-23(4)11-19(15,2)3/h7-8,12,15H,9-11H2,1-6H3,(H,22,25)/t12-,15+/m0/s1
InChIKey
WGIAKIIMCPKJQN-SWLSCSKDSA-N
Compound name
3-[(1S)-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-1-methyl-1-[(4R)-1,3,3-trimethylpiperidin-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

48
Patents

401.1637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17098 192.4
[M+Na]+ 424.15292 198.7
[M-H]- 400.15642 198.1
[M+NH4]+ 419.19752 206.2
[M+K]+ 440.12686 194.7
[M+H-H2O]+ 384.16096 186.1
[M+HCOO]- 446.16190 201.3
[M+CH3COO]- 460.17755 230.6
[M+Na-2H]- 422.13837 189.6
[M]+ 401.16315 196.1
[M]- 401.16425 196.1
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