CID 366396

Nsc634765

Structural Information

Molecular Formula
C23H28N4O6
SMILES
CN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O
InChI
InChI=1S/C23H28N4O6/c1-27(26-31)22(29)25-20(21(28)32-16-18-10-4-2-5-11-18)14-8-9-15-24-23(30)33-17-19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,24,30)(H,25,29)
InChIKey
UECJVBXQPAZMKG-UHFFFAOYSA-N
Compound name
benzyl 2-[[methyl(nitroso)carbamoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2009 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20818 208.7
[M+Na]+ 479.19012 207.6
[M-H]- 455.19362 216.1
[M+NH4]+ 474.23472 215.7
[M+K]+ 495.16406 208.4
[M+H-H2O]+ 439.19816 197.0
[M+HCOO]- 501.19910 233.9
[M+CH3COO]- 515.21475 244.4
[M+Na-2H]- 477.17557 209.5
[M]+ 456.20035 213.7
[M]- 456.20145 213.7
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.