CID 2802887

41486-97-9

Structural Information

Molecular Formula
C19H28N2O5
SMILES
CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C19H28N2O5/c1-5-13(4)16(18(23)24)20-17(22)15(12(2)3)21-19(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,5,11H2,1-4H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
WRWKLZMOFAMVPZ-UHFFFAOYSA-N
Compound name
3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.19983 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20711 190.8
[M+Na]+ 387.18905 190.5
[M-H]- 363.19255 191.4
[M+NH4]+ 382.23365 200.9
[M+K]+ 403.16299 190.6
[M+H-H2O]+ 347.19709 182.8
[M+HCOO]- 409.19803 207.2
[M+CH3COO]- 423.21368 221.2
[M+Na-2H]- 385.17450 185.5
[M]+ 364.19928 191.3
[M]- 364.20038 191.3
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

No patent data available for this compound.