CID 129159761

1662687-76-4

Structural Information

Molecular Formula
C23H25NO3
SMILES
CC1=C2C=C(C=C(C2=CC=C1)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H25NO3/c1-16-9-8-12-19-20(16)13-18(24-22(25)27-23(2,3)4)14-21(19)26-15-17-10-6-5-7-11-17/h5-14H,15H2,1-4H3,(H,24,25)
InChIKey
DKNNZNFXEAXOGR-UHFFFAOYSA-N
Compound name
tert-butyl N-(8-methyl-4-phenylmethoxynaphthalen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.18344 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 189.9
[M+Na]+ 386.17266 196.0
[M-H]- 362.17616 197.2
[M+NH4]+ 381.21726 203.2
[M+K]+ 402.14660 192.0
[M+H-H2O]+ 346.18070 181.0
[M+HCOO]- 408.18164 210.0
[M+CH3COO]- 422.19729 219.7
[M+Na-2H]- 384.15811 194.2
[M]+ 363.18289 193.4
[M]- 363.18399 193.4
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