CID 198140

34375-78-5

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=NN(C2=C1NCC3=CC=CC=C3O2)C
InChI
InChI=1S/C12H13N3O/c1-8-11-12(15(2)14-8)16-10-6-4-3-5-9(10)7-13-11/h3-6,13H,7H2,1-2H3
InChIKey
DBDCZVJYMNTHLP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.8
[M+Na]+ 238.09509 159.6
[M+NH4]+ 233.13969 155.3
[M+K]+ 254.06903 156.6
[M-H]- 214.09859 149.8
[M+Na-2H]- 236.08054 151.9
[M]+ 215.10532 150.1
[M]- 215.10642 150.1
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