CID 11560249

Psncbam-1

Structural Information

Molecular Formula
C22H21ClN4O
SMILES
C1CCN(C1)C2=CC=CC(=N2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
InChIKey
HDAYFSFWIPRJSO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

62
Patents

392.14038 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14766 195.2
[M+Na]+ 415.12960 209.7
[M+NH4]+ 410.17420 203.0
[M+K]+ 431.10354 202.1
[M-H]- 391.13310 203.4
[M+Na-2H]- 413.11505 206.1
[M]+ 392.13983 199.8
[M]- 392.14093 199.8
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