CID 88090

19482-05-4

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCC)[O-]
InChI
InChI=1S/C22H30N2O3/c1-3-5-7-17-26-21-13-9-19(10-14-21)23-24(25)20-11-15-22(16-12-20)27-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3
InChIKey
KJMATSUHPOPLMT-UHFFFAOYSA-N
Compound name
oxido-(4-pentoxyphenyl)-(4-pentoxyphenyl)iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

370.22565 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 195.2
[M+Na]+ 393.21487 197.8
[M-H]- 369.21837 201.7
[M+NH4]+ 388.25947 206.7
[M+K]+ 409.18881 189.8
[M+H-H2O]+ 353.22291 189.5
[M+HCOO]- 415.22385 220.3
[M+CH3COO]- 429.23950 218.7
[M+Na-2H]- 391.20032 199.0
[M]+ 370.22510 198.9
[M]- 370.22620 198.9
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