CID 110158

68400-20-4

Structural Information

Molecular Formula
C16H18N3O
SMILES
CCOC1=C(C=CC(=C1)N(C)CC2=CC=CC=C2)[N+]#N
InChI
InChI=1S/C16H18N3O/c1-3-20-16-11-14(9-10-15(16)18-17)19(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3/q+1
InChIKey
LKUHRCHNMYINPI-UHFFFAOYSA-N
Compound name
4-[benzyl(methyl)amino]-2-ethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.145 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15228 168.6
[M+Na]+ 291.13422 176.9
[M-H]- 267.13772 176.1
[M+NH4]+ 286.17882 183.3
[M+K]+ 307.10816 168.4
[M+H-H2O]+ 251.14226 155.7
[M+HCOO]- 313.14320 191.6
[M+CH3COO]- 327.15885 212.7
[M+Na-2H]- 289.11967 175.1
[M]+ 268.14445 165.2
[M]- 268.14555 165.2
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.