CID 5052881

303059-88-3

Structural Information

Molecular Formula
C22H19BrN2O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br)C
InChI
InChI=1S/C22H19BrN2O/c1-22(2)25-20(18-12-17(23)9-10-21(18)26-22)13-19(24-25)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20H,13H2,1-2H3
InChIKey
ZPSLDIAENUSYCF-UHFFFAOYSA-N
Compound name
9-bromo-5,5-dimethyl-2-naphthalen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.06808 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07536 194.5
[M+Na]+ 429.05730 207.2
[M-H]- 405.06080 204.3
[M+NH4]+ 424.10190 211.9
[M+K]+ 445.03124 195.2
[M+H-H2O]+ 389.06534 191.7
[M+HCOO]- 451.06628 207.6
[M+CH3COO]- 465.08193 206.3
[M+Na-2H]- 427.04275 199.3
[M]+ 406.06753 213.8
[M]- 406.06863 213.8
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.