CID 17998926

834884-86-5

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=CC(=N2)C=O
InChI
InChI=1S/C17H18N2O3/c1-17(2,3)22-16(21)19-13-9-7-12(8-10-13)15-6-4-5-14(11-20)18-15/h4-11H,1-3H3,(H,19,21)
InChIKey
UKAPEGUQXJZYQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(6-formylpyridin-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 170.2
[M+Na]+ 321.12096 182.8
[M+NH4]+ 316.16556 176.4
[M+K]+ 337.09490 176.9
[M-H]- 297.12446 172.9
[M+Na-2H]- 319.10641 178.0
[M]+ 298.13119 172.7
[M]- 298.13229 172.7
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