CID 3052915

Brn 0661773

Structural Information

Molecular Formula
C12H21N3O2
SMILES
CC(C)CN1CC(=O)N2CCCCN2C(=O)C1
InChI
InChI=1S/C12H21N3O2/c1-10(2)7-13-8-11(16)14-5-3-4-6-15(14)12(17)9-13/h10H,3-9H2,1-2H3
InChIKey
IAYGUIOEKGKLQB-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.16338 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17066 152.5
[M+Na]+ 262.15260 156.8
[M-H]- 238.15610 153.1
[M+NH4]+ 257.19720 166.1
[M+K]+ 278.12654 158.5
[M+H-H2O]+ 222.16064 143.5
[M+HCOO]- 284.16158 164.3
[M+CH3COO]- 298.17723 195.6
[M+Na-2H]- 260.13805 154.0
[M]+ 239.16283 145.8
[M]- 239.16393 145.8
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.