CID 137443184

2270944-70-0

Structural Information

Molecular Formula
C15H16ClN5O4
SMILES
COC1=CC(=C(C=C1NC2=NC=CC(=N2)Cl)[N+](=O)[O-])N3CCOCC3
InChI
InChI=1S/C15H16ClN5O4/c1-24-13-9-11(20-4-6-25-7-5-20)12(21(22)23)8-10(13)18-15-17-3-2-14(16)19-15/h2-3,8-9H,4-7H2,1H3,(H,17,18,19)
InChIKey
WRGYGMMDJMUMIB-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methoxy-4-morpholin-4-yl-5-nitrophenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

365.08908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09636 182.2
[M+Na]+ 388.07830 187.2
[M-H]- 364.08180 187.9
[M+NH4]+ 383.12290 188.0
[M+K]+ 404.05224 179.5
[M+H-H2O]+ 348.08634 175.1
[M+HCOO]- 410.08728 195.6
[M+CH3COO]- 424.10293 209.4
[M+Na-2H]- 386.06375 188.9
[M]+ 365.08853 180.9
[M]- 365.08963 180.9
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