CID 484642

2-furyl-[4-[2-(morpholinomethyl)-5h-pyrimido[5,4-b]indol-4-yl]piperazin-1-yl]methanone

Structural Information

Molecular Formula
C24H26N6O3
SMILES
C1CN(CCN1C2=NC(=NC3=C2NC4=CC=CC=C43)CN5CCOCC5)C(=O)C6=CC=CO6
InChI
InChI=1S/C24H26N6O3/c31-24(19-6-3-13-33-19)30-9-7-29(8-10-30)23-22-21(17-4-1-2-5-18(17)25-22)26-20(27-23)16-28-11-14-32-15-12-28/h1-6,13,25H,7-12,14-16H2
InChIKey
IBYHTKJSQLEOMB-UHFFFAOYSA-N
Compound name
furan-2-yl-[4-[2-(morpholin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.20663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 203.0
[M+Na]+ 469.19585 208.8
[M-H]- 445.19935 209.4
[M+NH4]+ 464.24045 204.6
[M+K]+ 485.16979 203.2
[M+H-H2O]+ 429.20389 189.9
[M+HCOO]- 491.20483 209.6
[M+CH3COO]- 505.22048 208.7
[M+Na-2H]- 467.18130 200.2
[M]+ 446.20608 200.1
[M]- 446.20718 200.1
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.