CID 547513

Brn 0728001

Structural Information

Molecular Formula
C28H32N4O2
SMILES
CN(C)CCNC1=CC(=C2C(=C1OC)N=C(C(=N2)CC3=CC=CC=C3)CC4=CC=CC=C4)OC
InChI
InChI=1S/C28H32N4O2/c1-32(2)16-15-29-24-19-25(33-3)26-27(28(24)34-4)31-23(18-21-13-9-6-10-14-21)22(30-26)17-20-11-7-5-8-12-20/h5-14,19,29H,15-18H2,1-4H3
InChIKey
UXNIDFQZGIAFEP-UHFFFAOYSA-N
Compound name
N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.25253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.25981 216.9
[M+Na]+ 479.24175 222.1
[M-H]- 455.24525 225.3
[M+NH4]+ 474.28635 223.3
[M+K]+ 495.21569 216.2
[M+H-H2O]+ 439.24979 203.1
[M+HCOO]- 501.25073 237.0
[M+CH3COO]- 515.26638 245.3
[M+Na-2H]- 477.22720 219.8
[M]+ 456.25198 221.8
[M]- 456.25308 221.8
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.