CID 110183

68400-45-3

Structural Information

Molecular Formula
C16H24N3O3
SMILES
CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCOCC2
InChI
InChI=1S/C16H24N3O3/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17/h9-12H,5-8H2,1-4H3/q+1
InChIKey
GMICNERLJRJXAS-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

306.18176 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18904 171.3
[M+Na]+ 329.17098 177.6
[M-H]- 305.17448 176.4
[M+NH4]+ 324.21558 181.8
[M+K]+ 345.14492 171.5
[M+H-H2O]+ 289.17902 158.1
[M+HCOO]- 351.17996 185.9
[M+CH3COO]- 365.19561 214.7
[M+Na-2H]- 327.15643 174.6
[M]+ 306.18121 166.4
[M]- 306.18231 166.4
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