CID 379017

Nsc662780

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C=CCCC(=O)C(=[N+]=[N-])C(=O)CCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H16N2O3/c1-2-3-9-14(20)16(18-17)15(21)11-10-13(19)12-7-5-4-6-8-12/h2,4-8H,1,3,9-11H2
InChIKey
CXZMPLLVNLLUQT-UHFFFAOYSA-N
Compound name
5-diazo-1-phenyldec-9-ene-1,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.123376 168.2
[M+Na]+ 307.105318 171.6
[M-H]- 283.108824 171.9
[M+NH4]+ 302.149923 182.7
[M+K]+ 323.079258 163.8
[M+H-H2O]+ 267.113360 165.2
[M+HCOO]- 329.114301 192.1
[M+CH3COO]- 343.129951 200.0
[M+Na-2H]- 305.090766 170.5
[M]+ 284.11555142 166.2
[M]- 284.11664858 166.2
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.