CID 44152667

Cyclohexanone, 2,6-bis((4-azidophenyl)methylene)-4-ethyl-

Structural Information

Molecular Formula
C22H20N6O
SMILES
CCC1C/C(=C\C2=CC=C(C=C2)N=[N+]=[N-])/C(=O)/C(=C/C3=CC=C(C=C3)N=[N+]=[N-])/C1
InChI
InChI=1S/C22H20N6O/c1-2-15-11-18(13-16-3-7-20(8-4-16)25-27-23)22(29)19(12-15)14-17-5-9-21(10-6-17)26-28-24/h3-10,13-15H,2,11-12H2,1H3/b18-13+,19-14+
InChIKey
FGTHNRJXIKCBGC-JIBZRZDWSA-N
Compound name
(2E,6E)-2,6-bis[(4-azidophenyl)methylidene]-4-ethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

384.16986 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17714 194.9
[M+Na]+ 407.15908 197.3
[M-H]- 383.16258 207.5
[M+NH4]+ 402.20368 205.2
[M+K]+ 423.13302 182.1
[M+H-H2O]+ 367.16712 191.4
[M+HCOO]- 429.16806 225.5
[M+CH3COO]- 443.18371 226.8
[M+Na-2H]- 405.14453 201.6
[M]+ 384.16931 186.7
[M]- 384.17041 186.7
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

patents stripe