CID 84645479

1781570-26-0

Structural Information

Molecular Formula
C13H17BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-7-6-15-10-5-4-9(14)8-11(10)16/h4-5,8,15H,6-7H2,1-3H3
InChIKey
IAFNDCQGIBCFLA-UHFFFAOYSA-N
Compound name
tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

312.04733 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05461 165.8
[M+Na]+ 335.03655 175.6
[M-H]- 311.04005 168.7
[M+NH4]+ 330.08115 182.4
[M+K]+ 351.01049 164.2
[M+H-H2O]+ 295.04459 165.2
[M+HCOO]- 357.04553 178.0
[M+CH3COO]- 371.06118 198.5
[M+Na-2H]- 333.02200 171.7
[M]+ 312.04678 182.6
[M]- 312.04788 182.6
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