CID 4101101

165062-56-6

Structural Information

Molecular Formula
C17H27N3O6
SMILES
CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)
InChIKey
ZYCZFTGHOVFXLZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

369.18997 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19725 186.6
[M+Na]+ 392.17919 190.9
[M-H]- 368.18269 187.8
[M+NH4]+ 387.22379 198.0
[M+K]+ 408.15313 192.2
[M+H-H2O]+ 352.18723 179.8
[M+HCOO]- 414.18817 202.7
[M+CH3COO]- 428.20382 216.1
[M+Na-2H]- 390.16464 186.9
[M]+ 369.18942 193.3
[M]- 369.19052 193.3
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