CID 514428

Schembl6160448

Structural Information

Molecular Formula
C20H24N4OS
SMILES
CC(C)N1C(=C(N(C1=O)C)CNCC2=CC=NC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H24N4OS/c1-15(2)24-19(26-17-7-5-4-6-8-17)18(23(3)20(24)25)14-22-13-16-9-11-21-12-10-16/h4-12,15,22H,13-14H2,1-3H3
InChIKey
KQAJUDIIZSOUOC-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylsulfanyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

368.16708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17436 188.3
[M+Na]+ 391.15630 196.9
[M-H]- 367.15980 194.9
[M+NH4]+ 386.20090 199.0
[M+K]+ 407.13024 190.0
[M+H-H2O]+ 351.16434 178.2
[M+HCOO]- 413.16528 204.4
[M+CH3COO]- 427.18093 198.1
[M+Na-2H]- 389.14175 186.9
[M]+ 368.16653 192.5
[M]- 368.16763 192.5
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