CID 5495789

Schembl17436960

Structural Information

Molecular Formula
C17H14BrN3O
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)C2=NC3=C(C=NC=C3C=C2)Br
InChI
InChI=1S/C17H14BrN3O/c1-11(12-5-3-2-4-6-12)20-17(22)15-8-7-13-9-19-10-14(18)16(13)21-15/h2-11H,1H3,(H,20,22)/t11-/m1/s1
InChIKey
ACAYUFUIPRLKTJ-LLVKDONJSA-N
Compound name
8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.032 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03928 173.3
[M+Na]+ 378.02122 182.8
[M-H]- 354.02472 180.3
[M+NH4]+ 373.06582 187.5
[M+K]+ 393.99516 170.3
[M+H-H2O]+ 338.02926 170.2
[M+HCOO]- 400.03020 190.7
[M+CH3COO]- 414.04585 185.1
[M+Na-2H]- 376.00667 180.5
[M]+ 355.03145 191.1
[M]- 355.03255 191.1
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

patents stripe