CID 514433

Schembl6158492

Structural Information

Molecular Formula
C21H26N4O2S
SMILES
CC(C)N1C(=C(N(C1=O)C)CNCC2=CC=NC=C2)SC3=CC=CC(=C3)OC
InChI
InChI=1S/C21H26N4O2S/c1-15(2)25-20(28-18-7-5-6-17(12-18)27-4)19(24(3)21(25)26)14-23-13-16-8-10-22-11-9-16/h5-12,15,23H,13-14H2,1-4H3
InChIKey
HJMWEAAYQRXWOS-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

398.17764 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18492 196.2
[M+Na]+ 421.16686 204.7
[M-H]- 397.17036 202.9
[M+NH4]+ 416.21146 205.8
[M+K]+ 437.14080 198.3
[M+H-H2O]+ 381.17490 186.0
[M+HCOO]- 443.17584 212.0
[M+CH3COO]- 457.19149 225.1
[M+Na-2H]- 419.15231 193.7
[M]+ 398.17709 202.4
[M]- 398.17819 202.4
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