CID 73759946

25982-89-2

Structural Information

Molecular Formula
C33H30Cl2N8
SMILES
C=CCN1C(N(C2=NC3=C(C=CC(=C3)Cl)N=C21)CC=C)/C=C/C=C\4/N(C5=NC6=C(C=C(C=C6)Cl)N=C5N4CC=C)CC=C
InChI
InChI=1S/C33H30Cl2N8/c1-5-16-40-28(42(18-7-3)32-30(40)36-24-14-12-22(34)20-26(24)38-32)10-9-11-29-41(17-6-2)31-33(43(29)19-8-4)39-27-21-23(35)13-15-25(27)37-31/h5-15,20-21,28H,1-4,16-19H2/b10-9+,29-11-
InChIKey
AROQCBQZZFJPMB-DLTBZHPISA-N
Compound name
(2Z)-6-chloro-2-[(E)-3-[6-chloro-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-2-yl]prop-2-enylidene]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.197 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.20428 253.0
[M+Na]+ 631.18622 270.7
[M+NH4]+ 626.23082 256.8
[M+K]+ 647.16016 261.6
[M-H]- 607.18972 254.2
[M+Na-2H]- 629.17167 253.2
[M]+ 608.19645 256.3
[M]- 608.19755 256.3
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.