CID 334646

81215-75-0

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1C2=CC=CC=C2CN3N1C(=O)CN(CC3=O)CCCO
InChI
InChI=1S/C15H19N3O3/c19-7-3-6-16-10-14(20)17-8-12-4-1-2-5-13(12)9-18(17)15(21)11-16/h1-2,4-5,19H,3,6-11H2
InChIKey
MCYMXYGMDVCKCF-UHFFFAOYSA-N
Compound name
3-(3-hydroxypropyl)-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

289.14264 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 165.9
[M+Na]+ 312.13186 172.1
[M-H]- 288.13536 166.6
[M+NH4]+ 307.17646 178.1
[M+K]+ 328.10580 171.5
[M+H-H2O]+ 272.13990 156.9
[M+HCOO]- 334.14084 177.6
[M+CH3COO]- 348.15649 174.7
[M+Na-2H]- 310.11731 169.6
[M]+ 289.14209 161.0
[M]- 289.14319 161.0
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.