CID 23657800

1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea

Structural Information

Molecular Formula
C17H22ClN5O3
SMILES
C[C@@H](CN(C)C)OC1=NC(=CN=C1)NC(=O)NC2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1
InChIKey
GIAYFZLMPSVQDV-NSHDSACASA-N
Compound name
1-(5-chloro-2-methoxyphenyl)-3-[6-[(2S)-1-(dimethylamino)propan-2-yl]oxypyrazin-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1411 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14838 188.4
[M+Na]+ 402.13032 194.1
[M-H]- 378.13382 193.9
[M+NH4]+ 397.17492 198.1
[M+K]+ 418.10426 191.3
[M+H-H2O]+ 362.13836 178.3
[M+HCOO]- 424.13930 207.0
[M+CH3COO]- 438.15495 227.8
[M+Na-2H]- 400.11577 191.0
[M]+ 379.14055 194.3
[M]- 379.14165 194.3
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.