CID 9846801

214212-38-1

Structural Information

Molecular Formula
C24H30N6O
SMILES
C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CC(=O)N5CCCC5)N6CCCC6
InChI
InChI=1S/C24H30N6O/c31-20(27-11-3-4-12-27)17-30-19-10-2-1-9-18(19)21-22(28-13-5-6-14-28)25-24(26-23(21)30)29-15-7-8-16-29/h1-2,9-10H,3-8,11-17H2
InChIKey
UZMWVMXNKZSFIP-UHFFFAOYSA-N
Compound name
2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

418.2481 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25538 198.7
[M+Na]+ 441.23732 203.3
[M-H]- 417.24082 206.5
[M+NH4]+ 436.28192 208.8
[M+K]+ 457.21126 198.0
[M+H-H2O]+ 401.24536 187.0
[M+HCOO]- 463.24630 209.5
[M+CH3COO]- 477.26195 205.5
[M+Na-2H]- 439.22277 188.6
[M]+ 418.24755 195.1
[M]- 418.24865 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe