CID 90063

23315-55-1

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCC)[O-]
InChI
InChI=1S/C18H22N2O3/c1-3-13-22-17-9-5-15(6-10-17)19-20(21)16-7-11-18(12-8-16)23-14-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKey
YRZFKJUPVCUDMX-UHFFFAOYSA-N
Compound name
oxido-(4-propoxyphenyl)-(4-propoxyphenyl)iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

314.16306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 176.2
[M+Na]+ 337.15228 180.7
[M-H]- 313.15578 183.6
[M+NH4]+ 332.19688 190.0
[M+K]+ 353.12622 173.6
[M+H-H2O]+ 297.16032 171.4
[M+HCOO]- 359.16126 202.8
[M+CH3COO]- 373.17691 206.8
[M+Na-2H]- 335.13773 182.3
[M]+ 314.16251 178.6
[M]- 314.16361 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe