CID 162382637

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)tetradecanoic acid

Structural Information

Molecular Formula
C29H39NO4
SMILES
CCCCCCCCCCCC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-15-22(20-28(31)32)30-29(33)34-21-27-25-18-13-11-16-23(25)24-17-12-14-19-26(24)27/h11-14,16-19,22,27H,2-10,15,20-21H2,1H3,(H,30,33)(H,31,32)
InChIKey
PGJQMKJWIAVRKT-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.2879 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.29518 221.9
[M+Na]+ 488.27712 222.5
[M-H]- 464.28062 223.4
[M+NH4]+ 483.32172 232.4
[M+K]+ 504.25106 217.0
[M+H-H2O]+ 448.28516 213.2
[M+HCOO]- 510.28610 237.3
[M+CH3COO]- 524.30175 238.3
[M+Na-2H]- 486.26257 218.4
[M]+ 465.28735 227.2
[M]- 465.28845 227.2
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