CID 3075248

173174-86-2

Structural Information

Molecular Formula
C22H33N5O3
SMILES
CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CCCN4CCN(CC4)CCO
InChI
InChI=1S/C22H33N5O3/c1-17-16-18-19(20(23-17)26-7-3-2-4-8-26)22(30)27(21(18)29)9-5-6-24-10-12-25(13-11-24)14-15-28/h16,28H,2-15H2,1H3
InChIKey
HQQGVTXVUYKBDQ-UHFFFAOYSA-N
Compound name
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25833 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26561 208.2
[M+Na]+ 438.24755 211.7
[M-H]- 414.25105 209.0
[M+NH4]+ 433.29215 213.2
[M+K]+ 454.22149 204.9
[M+H-H2O]+ 398.25559 195.5
[M+HCOO]- 460.25653 213.9
[M+CH3COO]- 474.27218 225.2
[M+Na-2H]- 436.23300 202.2
[M]+ 415.25778 202.7
[M]- 415.25888 202.7
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.