CID 72207624

1234615-84-9

Structural Information

Molecular Formula
C14H22N4O4
SMILES
CC(C)(C)OC(=O)NN(C1=CN=CN=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)17-18(10-7-15-9-16-8-10)12(20)22-14(4,5)6/h7-9H,1-6H3,(H,17,19)
InChIKey
DXJVUWWLMCSKTA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-pyrimidin-5-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

310.1641 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17138 173.0
[M+Na]+ 333.15332 177.8
[M-H]- 309.15682 175.4
[M+NH4]+ 328.19792 185.3
[M+K]+ 349.12726 178.9
[M+H-H2O]+ 293.16136 165.0
[M+HCOO]- 355.16230 192.2
[M+CH3COO]- 369.17795 209.4
[M+Na-2H]- 331.13877 178.8
[M]+ 310.16355 177.0
[M]- 310.16465 177.0
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