CID 17843693

369399-56-4

Structural Information

Molecular Formula
C15H27N3O6
SMILES
CC(C)(C)OC(=O)NC(=NCCCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27N3O6/c1-14(2,3)23-12(21)17-11(16-9-7-8-10(19)20)18-13(22)24-15(4,5)6/h7-9H2,1-6H3,(H,19,20)(H2,16,17,18,21,22)
InChIKey
RXVHNZVHLYSEEX-UHFFFAOYSA-N
Compound name
4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

345.18997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19725 181.2
[M+Na]+ 368.17919 183.3
[M-H]- 344.18269 180.8
[M+NH4]+ 363.22379 200.0
[M+K]+ 384.15313 185.1
[M+H-H2O]+ 328.18723 175.0
[M+HCOO]- 390.18817 199.5
[M+CH3COO]- 404.20382 216.4
[M+Na-2H]- 366.16464 182.4
[M]+ 345.18942 184.8
[M]- 345.19052 184.8
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