CID 72060

Pheneturide

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCC(C1=CC=CC=C1)C(=O)NC(=O)N
InChI
InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
InChIKey
AJOQSQHYDOFIOX-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

28
References

3218
Patents

206.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 147.4
[M+Na]+ 229.09475 152.1
[M-H]- 205.09825 150.3
[M+NH4]+ 224.13935 165.1
[M+K]+ 245.06869 150.6
[M+H-H2O]+ 189.10279 140.6
[M+HCOO]- 251.10373 170.6
[M+CH3COO]- 265.11938 190.2
[M+Na-2H]- 227.08020 150.2
[M]+ 206.10498 144.8
[M]- 206.10608 144.8
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