CID 3012795

Chembl425531

Structural Information

Molecular Formula
C20H26N4O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)NC(=O)NCC)N(C)C)C
InChI
InChI=1S/C20H26N4O3/c1-6-15-12(3)22-19(26)17(24(4)5)16(15)18(25)13-9-8-10-14(11-13)23-20(27)21-7-2/h8-11H,6-7H2,1-5H3,(H,22,26)(H2,21,23,27)
InChIKey
MQUCNKFTZYFYQJ-UHFFFAOYSA-N
Compound name
1-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.2005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20778 191.1
[M+Na]+ 393.18972 196.8
[M-H]- 369.19322 197.0
[M+NH4]+ 388.23432 201.5
[M+K]+ 409.16366 193.5
[M+H-H2O]+ 353.19776 181.6
[M+HCOO]- 415.19870 213.3
[M+CH3COO]- 429.21435 229.5
[M+Na-2H]- 391.17517 190.3
[M]+ 370.19995 192.8
[M]- 370.20105 192.8
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

No patent data available for this compound.