CID 3078699

122113-46-6

Structural Information

Molecular Formula
C16H26N4O3
SMILES
CCN(CC)C1=NC(=NC=C1CC(=O)OCC)N2CCOCC2
InChI
InChI=1S/C16H26N4O3/c1-4-19(5-2)15-13(11-14(21)23-6-3)12-17-16(18-15)20-7-9-22-10-8-20/h12H,4-11H2,1-3H3
InChIKey
VNELDANGFXTJAO-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(diethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

322.2005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20778 180.0
[M+Na]+ 345.18972 183.8
[M-H]- 321.19322 183.3
[M+NH4]+ 340.23432 188.7
[M+K]+ 361.16366 183.1
[M+H-H2O]+ 305.19776 168.8
[M+HCOO]- 367.19870 195.7
[M+CH3COO]- 381.21435 213.4
[M+Na-2H]- 343.17517 181.9
[M]+ 322.19995 181.7
[M]- 322.20105 181.7
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