CID 293444

100957-91-3

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCC(CO)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O2/c1-2-12(10-18)16-15(19)17-14-9-5-7-11-6-3-4-8-13(11)14/h3-9,12,18H,2,10H2,1H3,(H2,16,17,19)
InChIKey
DVNVWLNMDUURTB-UHFFFAOYSA-N
Compound name
1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.0
[M+Na]+ 281.12606 163.7
[M-H]- 257.12956 161.6
[M+NH4]+ 276.17066 175.4
[M+K]+ 297.10000 160.3
[M+H-H2O]+ 241.13410 151.9
[M+HCOO]- 303.13504 180.6
[M+CH3COO]- 317.15069 199.1
[M+Na-2H]- 279.11151 164.5
[M]+ 258.13629 157.6
[M]- 258.13739 157.6
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.