CID 4910351

Ini-43

Structural Information

Molecular Formula
C22H23N7
SMILES
CN(C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C4=NC5=CC=CC=C5N4)N
InChI
InChI=1S/C22H23N7/c1-28(2)12-7-13-29-20(23)18(21-25-15-9-4-5-10-16(15)26-21)19-22(29)27-17-11-6-3-8-14(17)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3,(H,25,26)
InChIKey
LWPQQQAILAUWTI-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)-1-[3-(dimethylamino)propyl]pyrrolo[3,2-b]quinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

385.2015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20878 192.5
[M+Na]+ 408.19072 207.9
[M+NH4]+ 403.23532 199.5
[M+K]+ 424.16466 203.5
[M-H]- 384.19422 196.8
[M+Na-2H]- 406.17617 199.2
[M]+ 385.20095 195.9
[M]- 385.20205 195.9
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