CID 167728410

N-[(1-nitrosopiperidin-2-yl)methyl]-n'-oxo-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide

Structural Information

Molecular Formula
C17H18F6N4O5
SMILES
C1CCN(C(C1)CN(C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)N=O)N=O
InChI
InChI=1S/C17H18F6N4O5/c18-16(19,20)9-31-12-4-5-14(32-10-17(21,22)23)13(7-12)15(28)27(25-30)8-11-3-1-2-6-26(11)24-29/h4-5,7,11H,1-3,6,8-10H2
InChIKey
ZJBZDWZKPVBTAV-UHFFFAOYSA-N
Compound name
N-nitroso-N-[(1-nitrosopiperidin-2-yl)methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.11813 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12541 200.0
[M+Na]+ 495.10735 204.6
[M-H]- 471.11085 200.6
[M+NH4]+ 490.15195 206.9
[M+K]+ 511.08129 203.9
[M+H-H2O]+ 455.11539 184.9
[M+HCOO]- 517.11633 215.0
[M+CH3COO]- 531.13198 245.4
[M+Na-2H]- 493.09280 201.3
[M]+ 472.11758 196.3
[M]- 472.11868 196.3
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.