CID 3075504

184691-42-7

Structural Information

Molecular Formula
C21H22N6O2
SMILES
C1CN(CCN1CCN2C(=O)CC3=C(C2=O)NC4=CC=CC=C34)C5=NC=CC=N5
InChI
InChI=1S/C21H22N6O2/c28-18-14-16-15-4-1-2-5-17(15)24-19(16)20(29)27(18)13-10-25-8-11-26(12-9-25)21-22-6-3-7-23-21/h1-7,24H,8-14H2
InChIKey
YZFMDALAWOVLHC-UHFFFAOYSA-N
Compound name
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.18042 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18770 197.9
[M+Na]+ 413.16964 205.3
[M-H]- 389.17314 199.6
[M+NH4]+ 408.21424 203.1
[M+K]+ 429.14358 196.2
[M+H-H2O]+ 373.17768 184.2
[M+HCOO]- 435.17862 206.1
[M+CH3COO]- 449.19427 203.8
[M+Na-2H]- 411.15509 198.4
[M]+ 390.17987 193.5
[M]- 390.18097 193.5
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

No patent data available for this compound.