CID 15484285

212567-95-8

Structural Information

Molecular Formula
C16H29N3O6
SMILES
CC(C)(C)OC(=O)NC(=NCCCCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H29N3O6/c1-15(2,3)24-13(22)18-12(17-10-8-7-9-11(20)21)19-14(23)25-16(4,5)6/h7-10H2,1-6H3,(H,20,21)(H2,17,18,19,22,23)
InChIKey
PDHAIWOFMLXREX-UHFFFAOYSA-N
Compound name
5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

359.20563 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21291 185.7
[M+Na]+ 382.19485 187.3
[M-H]- 358.19835 205.2
[M+NH4]+ 377.23945 203.6
[M+K]+ 398.16879 189.0
[M+H-H2O]+ 342.20289 179.3
[M+HCOO]- 404.20383 202.8
[M+CH3COO]- 418.21948 219.4
[M+Na-2H]- 380.18030 186.5
[M]+ 359.20508 192.8
[M]- 359.20618 192.8
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

patents stripe