CID 152031

Carbetamide

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCNC(=O)[C@@H](C)OC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKey
AMRQXHFXNZFDCH-SECBINFHSA-N
Compound name
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

20429
Patents

236.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.8
[M+Na]+ 259.10531 163.1
[M+NH4]+ 254.14991 160.7
[M+K]+ 275.07925 159.0
[M-H]- 235.10881 155.8
[M+Na-2H]- 257.09076 159.3
[M]+ 236.11554 155.7
[M]- 236.11664 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe