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]+ 285.12338 168.2
[M+Na]+ 307.10532 171.6
[M-H]- 283.10882 171.9
[M+NH4]+ 302.14992 182.7
[M+K]+ 323.07926 163.8
[M+H-H2O]+ 267.11336 165.2
[M+HCOO]- 329.11430 192.1
[M+CH3COO]- 343.12995 200.0
[M+Na-2H]- 305.09077 170.5
[M]+ 284.11555 166.2
[M]- 284.11665 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.