CID 547654

Brn 0731789

Structural Information

Molecular Formula
C26H26Cl2N4O2
SMILES
CN(C)CCNC1=CC(=C2C(=C1OC)N=C(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C26H26Cl2N4O2/c1-32(2)14-13-29-20-15-21(33-3)24-25(26(20)34-4)31-23(17-7-11-19(28)12-8-17)22(30-24)16-5-9-18(27)10-6-16/h5-12,15,29H,13-14H2,1-4H3
InChIKey
FPJFLCMZOYYTES-UHFFFAOYSA-N
Compound name
N-[2,3-bis(4-chlorophenyl)-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

496.14328 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.15056 220.7
[M+Na]+ 519.13250 229.7
[M-H]- 495.13600 228.9
[M+NH4]+ 514.17710 227.6
[M+K]+ 535.10644 222.5
[M+H-H2O]+ 479.14054 208.6
[M+HCOO]- 541.14148 231.9
[M+CH3COO]- 555.15713 228.5
[M+Na-2H]- 517.11795 221.9
[M]+ 496.14273 230.0
[M]- 496.14383 230.0
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.