CID 78574

61813-49-8

Structural Information

Molecular Formula
C18H28N3O3
SMILES
CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2
InChI
InChI=1S/C18H28N3O3/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2/h13-14H,3-12H2,1-2H3/q+1
InChIKey
NJLLALPCADBTIS-UHFFFAOYSA-N
Compound name
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

314
Patents

334.21307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22035 177.1
[M+Na]+ 357.20229 183.2
[M-H]- 333.20579 181.7
[M+NH4]+ 352.24689 186.8
[M+K]+ 373.17623 175.8
[M+H-H2O]+ 317.21033 163.3
[M+HCOO]- 379.21127 192.9
[M+CH3COO]- 393.22692 218.6
[M+Na-2H]- 355.18774 181.8
[M]+ 334.21252 174.0
[M]- 334.21362 174.0
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

patents stripe