CID 3121899

303060-85-7

Structural Information

Molecular Formula
C19H19BrN2O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Br)C
InChI
InChI=1S/C19H19BrN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3
InChIKey
XYGAOCYWCCHIOS-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.063 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07028 185.7
[M+Na]+ 409.05222 198.5
[M-H]- 385.05572 195.1
[M+NH4]+ 404.09682 203.4
[M+K]+ 425.02616 187.8
[M+H-H2O]+ 369.06026 183.9
[M+HCOO]- 431.06120 200.4
[M+CH3COO]- 445.07685 198.5
[M+Na-2H]- 407.03767 190.4
[M]+ 386.06245 207.1
[M]- 386.06355 207.1
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

No patent data available for this compound.