CID 3075245

173174-79-3

Structural Information

Molecular Formula
C18H25N5O2
SMILES
CC1=CC2=C(C(=N1)N3CCN(CC3)C)C(=O)N(C2=O)CN4CCCC4
InChI
InChI=1S/C18H25N5O2/c1-13-11-14-15(16(19-13)22-9-7-20(2)8-10-22)18(25)23(17(14)24)12-21-5-3-4-6-21/h11H,3-10,12H2,1-2H3
InChIKey
MDDJTSVAKBLQAU-UHFFFAOYSA-N
Compound name
6-methyl-4-(4-methylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.20084 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20812 187.7
[M+Na]+ 366.19006 194.5
[M-H]- 342.19356 191.5
[M+NH4]+ 361.23466 198.6
[M+K]+ 382.16400 189.1
[M+H-H2O]+ 326.19810 176.6
[M+HCOO]- 388.19904 198.6
[M+CH3COO]- 402.21469 195.6
[M+Na-2H]- 364.17551 181.7
[M]+ 343.20029 183.7
[M]- 343.20139 183.7
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.