CID 165758510

2757961-28-5

Structural Information

Molecular Formula
C14H18BrN3O2
SMILES
C[C@@H](C1=CN2C=C(C=CC2=N1)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H18BrN3O2/c1-9(16-13(19)20-14(2,3)4)11-8-18-7-10(15)5-6-12(18)17-11/h5-9H,1-4H3,(H,16,19)/t9-/m0/s1
InChIKey
IKWMUFFVMVVQES-VIFPVBQESA-N
Compound name
tert-butyl N-[(1S)-1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.05823 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06551 172.5
[M+Na]+ 362.04745 183.9
[M-H]- 338.05095 177.7
[M+NH4]+ 357.09205 190.2
[M+K]+ 378.02139 173.0
[M+H-H2O]+ 322.05549 171.1
[M+HCOO]- 384.05643 190.5
[M+CH3COO]- 398.07208 208.0
[M+Na-2H]- 360.03290 178.0
[M]+ 339.05768 194.6
[M]- 339.05878 194.6
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

No patent data available for this compound.