CID 3700151

3-dodecyl-1-(naphthalen-1-yl)urea

Structural Information

Molecular Formula
C23H34N2O
SMILES
CCCCCCCCCCCCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C23H34N2O/c1-2-3-4-5-6-7-8-9-10-13-19-24-23(26)25-22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,2-10,13,19H2,1H3,(H2,24,25,26)
InChIKey
VLLWHDCFZRFUKD-UHFFFAOYSA-N
Compound name
1-dodecyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.26712 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.27440 191.6
[M+Na]+ 377.25634 193.5
[M-H]- 353.25984 193.9
[M+NH4]+ 372.30094 204.8
[M+K]+ 393.23028 187.9
[M+H-H2O]+ 337.26438 182.6
[M+HCOO]- 399.26532 212.7
[M+CH3COO]- 413.28097 222.5
[M+Na-2H]- 375.24179 194.3
[M]+ 354.26657 194.0
[M]- 354.26767 194.0
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

No patent data available for this compound.