CID 379521

Urea, 1,1-dimethyl-3-(2-(1,2,3,4,5,6-hexahydro-1-benzazocin-1-yl)ethyl)-

Structural Information

Molecular Formula
C16H25N3O
SMILES
CN(C)C(=O)NCCN1CCCCCC2=CC=CC=C21
InChI
InChI=1S/C16H25N3O/c1-18(2)16(20)17-11-13-19-12-7-3-4-8-14-9-5-6-10-15(14)19/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,20)
InChIKey
QVPUGYYRZIGIOT-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 163.4
[M+Na]+ 298.18899 166.6
[M-H]- 274.19249 165.1
[M+NH4]+ 293.23359 170.5
[M+K]+ 314.16293 166.6
[M+H-H2O]+ 258.19703 158.5
[M+HCOO]- 320.19797 172.0
[M+CH3COO]- 334.21362 232.8
[M+Na-2H]- 296.17444 162.9
[M]+ 275.19922 162.2
[M]- 275.20032 162.2
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

No patent data available for this compound.