CID 14560742

Bz-orn(carbamoyl)-ome

Structural Information

Molecular Formula
C14H19N3O4
SMILES
COC(=O)C(CCCNC(=O)N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H19N3O4/c1-21-13(19)11(8-5-9-16-14(15)20)17-12(18)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H3,15,16,20)
InChIKey
ARLRYYLMUJSMGC-UHFFFAOYSA-N
Compound name
methyl 2-benzamido-5-(carbamoylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 169.0
[M+Na]+ 316.126758 171.2
[M-H]- 292.130264 171.2
[M+NH4]+ 311.171363 182.3
[M+K]+ 332.100698 170.5
[M+H-H2O]+ 276.134800 160.7
[M+HCOO]- 338.135741 191.7
[M+CH3COO]- 352.151391 208.4
[M+Na-2H]- 314.112206 169.5
[M]+ 293.13699142 168.1
[M]- 293.13808858 168.1
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

No patent data available for this compound.