CID 334650

81215-78-3

Structural Information

Molecular Formula
C18H24N4O3
SMILES
C1COCCN1CCN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2
InChI
InChI=1S/C18H24N4O3/c23-17-13-20(6-5-19-7-9-25-10-8-19)14-18(24)22-12-16-4-2-1-3-15(16)11-21(17)22/h1-4H,5-14H2
InChIKey
PJDHJGZYVKDVRD-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-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

344.18484 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 183.2
[M+Na]+ 367.17406 187.3
[M-H]- 343.17756 186.0
[M+NH4]+ 362.21866 190.4
[M+K]+ 383.14800 186.6
[M+H-H2O]+ 327.18210 170.5
[M+HCOO]- 389.18304 190.1
[M+CH3COO]- 403.19869 189.7
[M+Na-2H]- 365.15951 184.8
[M]+ 344.18429 175.2
[M]- 344.18539 175.2
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.