CID 268803

Nsc109244

Structural Information

Molecular Formula
C22H28N4O4
SMILES
C1COCCN1CC2=CC(=C(C(=C2O)CN3CCOCC3)O)N=NC4=CC=CC=C4
InChI
InChI=1S/C22H28N4O4/c27-21-17(15-25-6-10-29-11-7-25)14-20(24-23-18-4-2-1-3-5-18)22(28)19(21)16-26-8-12-30-13-9-26/h1-5,14,27-28H,6-13,15-16H2
InChIKey
IMXTUESDHJSGRL-UHFFFAOYSA-N
Compound name
2,4-bis(morpholin-4-ylmethyl)-6-phenyldiazenylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.21106 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 201.5
[M+Na]+ 435.20028 203.1
[M-H]- 411.20378 210.9
[M+NH4]+ 430.24488 204.5
[M+K]+ 451.17422 200.7
[M+H-H2O]+ 395.20832 188.1
[M+HCOO]- 457.20926 215.3
[M+CH3COO]- 471.22491 207.9
[M+Na-2H]- 433.18573 203.5
[M]+ 412.21051 196.7
[M]- 412.21161 196.7
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.