CID 334636

86144-46-9

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCOC1=CC=C(C=C1)N2CC(=O)N3CCCN3C(=O)C2
InChI
InChI=1S/C15H19N3O3/c1-2-21-13-6-4-12(5-7-13)16-10-14(19)17-8-3-9-18(17)15(20)11-16/h4-7H,2-3,8-11H2,1H3
InChIKey
OQNUWLCNRPTUJD-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 166.0
[M+Na]+ 312.13186 172.2
[M-H]- 288.13536 170.5
[M+NH4]+ 307.17646 179.3
[M+K]+ 328.10580 172.2
[M+H-H2O]+ 272.13990 156.2
[M+HCOO]- 334.14084 181.4
[M+CH3COO]- 348.15649 175.9
[M+Na-2H]- 310.11731 166.6
[M]+ 289.14209 162.2
[M]- 289.14319 162.2
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.