CID 373282

Nsc649433

Structural Information

Molecular Formula
C18H14N2O
SMILES
C1=CC=C(C=C1)CCC#CC2=CC=CC=C2C(=O)C=[N+]=[N-]
InChI
InChI=1S/C18H14N2O/c19-20-14-18(21)17-13-7-6-12-16(17)11-5-4-10-15-8-2-1-3-9-15/h1-3,6-9,12-14H,4,10H2
InChIKey
RBUMGDQJMZOAGK-UHFFFAOYSA-N
Compound name
2-diazo-1-[2-(4-phenylbut-1-ynyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11063 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 176.6
[M+Na]+ 297.09985 184.4
[M-H]- 273.10335 181.0
[M+NH4]+ 292.14445 189.8
[M+K]+ 313.07379 172.4
[M+H-H2O]+ 257.10789 166.2
[M+HCOO]- 319.10883 196.6
[M+CH3COO]- 333.12448 203.3
[M+Na-2H]- 295.08530 180.5
[M]+ 274.11008 168.0
[M]- 274.11118 168.0
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.