CID 9888401

U0q2zr5xft

Structural Information

Molecular Formula
C24H32N6O
SMILES
C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CCN5CCOCC5)N6CCCC6
InChI
InChI=1S/C24H32N6O/c1-2-8-20-19(7-1)21-22(28-9-3-4-10-28)25-24(29-11-5-6-12-29)26-23(21)30(20)14-13-27-15-17-31-18-16-27/h1-2,7-8H,3-6,9-18H2
InChIKey
OSWIGURBWHFXSX-UHFFFAOYSA-N
Compound name
4-[2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

420.26376 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27104 199.7
[M+Na]+ 443.25298 203.9
[M-H]- 419.25648 206.2
[M+NH4]+ 438.29758 206.4
[M+K]+ 459.22692 198.1
[M+H-H2O]+ 403.26102 186.5
[M+HCOO]- 465.26196 207.6
[M+CH3COO]- 479.27761 205.6
[M+Na-2H]- 441.23843 192.3
[M]+ 420.26321 195.0
[M]- 420.26431 195.0
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

patents stripe