CID 17998926

Tert-butyl n-[4-(6-formylpyridin-2-yl)phenyl]carbamate

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-formyl-2-pyridinyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 170.2
[M+Na]+ 321.120958 177.2
[M-H]- 297.124464 175.9
[M+NH4]+ 316.165563 183.8
[M+K]+ 337.094898 174.0
[M+H-H2O]+ 281.129000 161.7
[M+HCOO]- 343.129941 191.8
[M+CH3COO]- 357.145591 204.6
[M+Na-2H]- 319.106406 175.5
[M]+ 298.13119142 172.5
[M]- 298.13228858 172.5
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