CID 24847211

Brn 4450148

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC(C)C1=NN=C2N1C3=CC=CC=C3OC2
InChI
InChI=1S/C12H13N3O/c1-8(2)12-14-13-11-7-16-10-6-4-3-5-9(10)15(11)12/h3-6,8H,7H2,1-2H3
InChIKey
FEMHZFSNVOEVPP-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.7
[M+Na]+ 238.09509 157.3
[M-H]- 214.09859 149.9
[M+NH4]+ 233.13969 165.0
[M+K]+ 254.06903 154.8
[M+H-H2O]+ 198.10313 139.4
[M+HCOO]- 260.10407 164.6
[M+CH3COO]- 274.11972 160.1
[M+Na-2H]- 236.08054 154.3
[M]+ 215.10532 149.2
[M]- 215.10642 149.2
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.