CID 334651

81215-79-4

Structural Information

Molecular Formula
C19H26N4O3
SMILES
C1COCCN1CCCN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2
InChI
InChI=1S/C19H26N4O3/c24-18-14-21(7-3-6-20-8-10-26-11-9-20)15-19(25)23-13-17-5-2-1-4-16(17)12-22(18)23/h1-2,4-5H,3,6-15H2
InChIKey
LKSOKXVSPAARAE-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-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

358.2005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20778 187.3
[M+Na]+ 381.18972 191.0
[M-H]- 357.19322 189.9
[M+NH4]+ 376.23432 193.9
[M+K]+ 397.16366 190.1
[M+H-H2O]+ 341.19776 174.4
[M+HCOO]- 403.19870 193.9
[M+CH3COO]- 417.21435 193.4
[M+Na-2H]- 379.17517 188.5
[M]+ 358.19995 179.6
[M]- 358.20105 179.6
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.