CID 11763158

110560-22-0

Structural Information

Molecular Formula
C31H48N2O5
SMILES
CCCCCCCCCCCCOCCCNC(=O)C1=C(C2=C(C=C1)C(=CC=C2)NC(=O)OCC(C)C)O
InChI
InChI=1S/C31H48N2O5/c1-4-5-6-7-8-9-10-11-12-13-21-37-22-15-20-32-30(35)27-19-18-25-26(29(27)34)16-14-17-28(25)33-31(36)38-23-24(2)3/h14,16-19,24,34H,4-13,15,20-23H2,1-3H3,(H,32,35)(H,33,36)
InChIKey
RSJZGHMWWMJFSW-UHFFFAOYSA-N
Compound name
2-methylpropyl N-[6-(3-dodecoxypropylcarbamoyl)-5-hydroxynaphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

528.3563 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.36358 237.9
[M+Na]+ 551.34552 243.7
[M+NH4]+ 546.39012 240.3
[M+K]+ 567.31946 236.6
[M-H]- 527.34902 237.9
[M+Na-2H]- 549.33097 237.0
[M]+ 528.35575 238.1
[M]- 528.35685 238.1
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