CID 484616

7,8-dimethoxy-4-n-[2-(n,n-dimethylamino)]-ethylamino-2-(2'-furyl)pyrimido[5,4-b]indole

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CN(C)CCNC1=NC(=NC2=C1NC3=CC(=C(C=C32)OC)OC)C4=CC=CO4
InChI
InChI=1S/C20H23N5O3/c1-25(2)8-7-21-20-18-17(23-19(24-20)14-6-5-9-28-14)12-10-15(26-3)16(27-4)11-13(12)22-18/h5-6,9-11,22H,7-8H2,1-4H3,(H,21,23,24)
InChIKey
GCIUATXFTQDHOG-UHFFFAOYSA-N
Compound name
N-[2-(furan-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.18008 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 189.7
[M+Na]+ 404.16930 199.9
[M-H]- 380.17280 197.1
[M+NH4]+ 399.21390 201.7
[M+K]+ 420.14324 196.5
[M+H-H2O]+ 364.17734 180.3
[M+HCOO]- 426.17828 212.5
[M+CH3COO]- 440.19393 200.8
[M+Na-2H]- 402.15475 193.8
[M]+ 381.17953 199.2
[M]- 381.18063 199.2
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

No patent data available for this compound.