CID 334653

81215-81-8

Structural Information

Molecular Formula
C20H29N5O2
SMILES
CN1CCN(CC1)CCCN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2
InChI
InChI=1S/C20H29N5O2/c1-21-9-11-22(12-10-21)7-4-8-23-15-19(26)24-13-17-5-2-3-6-18(17)14-25(24)20(27)16-23/h2-3,5-6H,4,7-16H2,1H3
InChIKey
HVAVMBNEEOXCRG-UHFFFAOYSA-N
Compound name
3-[3-(4-methylpiperazin-1-yl)propyl]-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.23212 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23940 195.4
[M+Na]+ 394.22134 199.6
[M-H]- 370.22484 196.3
[M+NH4]+ 389.26594 201.8
[M+K]+ 410.19528 196.9
[M+H-H2O]+ 354.22938 181.4
[M+HCOO]- 416.23032 201.0
[M+CH3COO]- 430.24597 200.6
[M+Na-2H]- 392.20679 194.8
[M]+ 371.23157 187.0
[M]- 371.23267 187.0
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.