CID 11292933

844903-58-8

Structural Information

Molecular Formula
C25H29N5O
SMILES
CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N5CCNC5=O
InChI
InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)
InChIKey
ANGUXJDGJCHGOG-UHFFFAOYSA-N
Compound name
1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

27
Patents

415.2372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.24448 206.8
[M+Na]+ 438.22642 211.3
[M-H]- 414.22992 211.0
[M+NH4]+ 433.27102 211.1
[M+K]+ 454.20036 201.9
[M+H-H2O]+ 398.23446 192.3
[M+HCOO]- 460.23540 214.9
[M+CH3COO]- 474.25105 211.8
[M+Na-2H]- 436.21187 203.8
[M]+ 415.23665 199.7
[M]- 415.23775 199.7
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