CID 458587

N-tetradecylurea

Structural Information

Molecular Formula
C15H32N2O
SMILES
CCCCCCCCCCCCCCNC(=O)N
InChI
InChI=1S/C15H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15(16)18/h2-14H2,1H3,(H3,16,17,18)
InChIKey
IPOBMWQSKXACEW-UHFFFAOYSA-N
Compound name
tetradecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

256.25146 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.25874 170.0
[M+Na]+ 279.24068 171.8
[M-H]- 255.24418 168.0
[M+NH4]+ 274.28528 186.1
[M+K]+ 295.21462 169.1
[M+H-H2O]+ 239.24872 162.8
[M+HCOO]- 301.24966 191.6
[M+CH3COO]- 315.26531 204.7
[M+Na-2H]- 277.22613 170.3
[M]+ 256.25091 172.0
[M]- 256.25201 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe