CID 484620

4-n-[2-(n,n-dimethylamino)]ethylamino-2-(3'-pyridyl)pyrimido[5,4-b]indole

Structural Information

Molecular Formula
C19H20N6
SMILES
CN(C)CCNC1=NC(=NC2=C1NC3=CC=CC=C32)C4=CN=CC=C4
InChI
InChI=1S/C19H20N6/c1-25(2)11-10-21-19-17-16(14-7-3-4-8-15(14)22-17)23-18(24-19)13-6-5-9-20-12-13/h3-9,12,22H,10-11H2,1-2H3,(H,21,23,24)
InChIKey
ZJFCLIMFPXRGEL-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-pyridin-3-yl-5H-pyrimido[5,4-b]indol-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.17496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18224 177.7
[M+Na]+ 355.16418 186.4
[M-H]- 331.16768 181.6
[M+NH4]+ 350.20878 189.2
[M+K]+ 371.13812 179.4
[M+H-H2O]+ 315.17222 166.4
[M+HCOO]- 377.17316 197.7
[M+CH3COO]- 391.18881 187.5
[M+Na-2H]- 353.14963 185.5
[M]+ 332.17441 179.5
[M]- 332.17551 179.5
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.