CID 381615

Nsc668428

Structural Information

Molecular Formula
C20H29N3O7
SMILES
CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H29N3O7/c1-5-28-16(24)12-11-15(17(25)22-23-19(27)30-20(2,3)4)21-18(26)29-13-14-9-7-6-8-10-14/h6-10,15H,5,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
InChIKey
AEASTATZRUTDNB-UHFFFAOYSA-N
Compound name
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.20056 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20784 200.6
[M+Na]+ 446.18978 200.4
[M-H]- 422.19328 202.7
[M+NH4]+ 441.23438 209.0
[M+K]+ 462.16372 201.7
[M+H-H2O]+ 406.19782 191.8
[M+HCOO]- 468.19876 220.3
[M+CH3COO]- 482.21441 230.5
[M+Na-2H]- 444.17523 200.0
[M]+ 423.20001 204.9
[M]- 423.20111 204.9
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.