CID 484641

4-(morpholinyl)-2-n-methyl-morpholinylpyrimido[5,4-b]indole

Structural Information

Molecular Formula
C19H23N5O2
SMILES
C1COCCN1CC2=NC3=C(C(=N2)N4CCOCC4)NC5=CC=CC=C53
InChI
InChI=1S/C19H23N5O2/c1-2-4-15-14(3-1)17-18(20-15)19(24-7-11-26-12-8-24)22-16(21-17)13-23-5-9-25-10-6-23/h1-4,20H,5-13H2
InChIKey
RQTFLIMNZSZJNW-UHFFFAOYSA-N
Compound name
4-[2-(morpholin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.18518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 184.2
[M+Na]+ 376.17440 189.8
[M-H]- 352.17790 187.5
[M+NH4]+ 371.21900 189.4
[M+K]+ 392.14834 184.7
[M+H-H2O]+ 336.18244 171.1
[M+HCOO]- 398.18338 191.1
[M+CH3COO]- 412.19903 190.9
[M+Na-2H]- 374.15985 186.3
[M]+ 353.18463 179.0
[M]- 353.18573 179.0
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.