CID 686334

10244-24-3

Structural Information

Molecular Formula
C12H17ClN4O2
SMILES
C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)Cl
InChI
InChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKey
KIWUTYCMQNZUPX-UHFFFAOYSA-N
Compound name
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

284.104 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11128 167.1
[M+Na]+ 307.09322 172.1
[M-H]- 283.09672 170.5
[M+NH4]+ 302.13782 174.2
[M+K]+ 323.06716 169.8
[M+H-H2O]+ 267.10126 154.9
[M+HCOO]- 329.10220 172.7
[M+CH3COO]- 343.11785 175.3
[M+Na-2H]- 305.07867 170.7
[M]+ 284.10345 162.6
[M]- 284.10455 162.6
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