CID 156009087

Hu6

Structural Information

Molecular Formula
C14H16BrN3O
SMILES
C1C[C@H]([C@@H](C=C1)CNC2=CC(=CC3=C2C=NN3)Br)O
InChI
InChI=1S/C14H16BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h1,3,5-6,8-9,14,16,19H,2,4,7H2,(H,17,18)/t9-,14+/m0/s1
InChIKey
KUCFPVMNWYCZRO-LKFCYVNXSA-N
Compound name
(1R,2S)-2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

321.04767 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05495 165.6
[M+Na]+ 344.03689 176.0
[M-H]- 320.04039 170.7
[M+NH4]+ 339.08149 182.3
[M+K]+ 360.01083 162.3
[M+H-H2O]+ 304.04493 163.8
[M+HCOO]- 366.04587 182.5
[M+CH3COO]- 380.06152 177.7
[M+Na-2H]- 342.02234 171.2
[M]+ 321.04712 180.9
[M]- 321.04822 180.9
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.