CID 3075246

173174-85-1

Structural Information

Molecular Formula
C18H26N4O4
SMILES
CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CN(CCO)CCO
InChI
InChI=1S/C18H26N4O4/c1-13-11-14-15(16(19-13)21-5-3-2-4-6-21)18(26)22(17(14)25)12-20(7-9-23)8-10-24/h11,23-24H,2-10,12H2,1H3
InChIKey
JCTZWOFEQMDRQC-UHFFFAOYSA-N
Compound name
2-[[bis(2-hydroxyethyl)amino]methyl]-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

362.1954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20268 187.5
[M+Na]+ 385.18462 195.8
[M+NH4]+ 380.22922 191.7
[M+K]+ 401.15856 193.3
[M-H]- 361.18812 187.7
[M+Na-2H]- 383.17007 188.3
[M]+ 362.19485 188.1
[M]- 362.19595 188.1
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

No patent data available for this compound.