CID 382221

Nsc669678

Structural Information

Molecular Formula
C19H32N2O7
SMILES
CC(C)(C)OC(=O)CC(C(=O)NC(CC=C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H32N2O7/c1-9-10-12(16(24)26-8)20-15(23)13(11-14(22)27-18(2,3)4)21-17(25)28-19(5,6)7/h9,12-13H,1,10-11H2,2-8H3,(H,20,23)(H,21,25)
InChIKey
KMTAWRUJHTUACP-UHFFFAOYSA-N
Compound name
methyl 2-[[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.22095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22823 198.1
[M+Na]+ 423.21017 210.4
[M-H]- 399.21367 208.6
[M+NH4]+ 418.25477 211.2
[M+K]+ 439.18411 205.8
[M+H-H2O]+ 383.21821 198.1
[M+HCOO]- 445.21915 202.0
[M+CH3COO]- 459.23480 227.2
[M+Na-2H]- 421.19562 192.9
[M]+ 400.22040 198.2
[M]- 400.22150 198.2
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.