CID 59188220

Schembl13488588

Structural Information

Molecular Formula
C37H65NO2
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C
InChI
InChI=1S/C37H65NO2/c1-7-9-11-13-15-17-18-20-22-24-27-33(26-23-21-19-16-14-12-10-8-2)31-40-36(39)38-37(5,6)35-29-25-28-34(30-35)32(3)4/h25,28-30,33H,3,7-24,26-27,31H2,1-2,4-6H3,(H,38,39)
InChIKey
NQJVHDQNEPKWLM-UHFFFAOYSA-N
Compound name
2-decyltetradecyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

555.5015 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.50878 257.8
[M+Na]+ 578.49072 253.4
[M-H]- 554.49422 256.5
[M+NH4]+ 573.53532 243.9
[M+K]+ 594.46466 246.8
[M+H-H2O]+ 538.49876 247.5
[M+HCOO]- 600.49970 248.7
[M+CH3COO]- 614.51535 263.8
[M+Na-2H]- 576.47617 248.1
[M]+ 555.50095 266.3
[M]- 555.50205 266.3
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