CID 49818722

Schembl1325848

Structural Information

Molecular Formula
C11H18N4O
SMILES
CC(C)N(C)C1=CN=C2CNCCOC2=N1
InChI
InChI=1S/C11H18N4O/c1-8(2)15(3)10-7-13-9-6-12-4-5-16-11(9)14-10/h7-8,12H,4-6H2,1-3H3
InChIKey
IONFSPILJMPKCA-UHFFFAOYSA-N
Compound name
N-methyl-N-propan-2-yl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.14806 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 147.9
[M+Na]+ 245.13728 152.6
[M-H]- 221.14078 149.8
[M+NH4]+ 240.18188 160.6
[M+K]+ 261.11122 156.0
[M+H-H2O]+ 205.14532 138.3
[M+HCOO]- 267.14626 162.9
[M+CH3COO]- 281.16191 158.1
[M+Na-2H]- 243.12273 154.1
[M]+ 222.14751 143.6
[M]- 222.14861 143.6
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

patents stripe