CID 105588

Einecs 267-066-2

Structural Information

Molecular Formula
C22H22N3O
SMILES
CCOC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+]#N
InChI
InChI=1S/C22H22N3O/c1-2-26-22-15-20(13-14-21(22)24-23)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3/q+1
InChIKey
QMYZVPNFHSQUBW-UHFFFAOYSA-N
Compound name
4-(dibenzylamino)-2-ethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1763 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18358 193.6
[M+Na]+ 367.16552 200.8
[M-H]- 343.16902 202.4
[M+NH4]+ 362.21012 204.5
[M+K]+ 383.13946 189.3
[M+H-H2O]+ 327.17356 178.7
[M+HCOO]- 389.17450 215.4
[M+CH3COO]- 403.19015 224.8
[M+Na-2H]- 365.15097 198.7
[M]+ 344.17575 189.2
[M]- 344.17685 189.2
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.