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]+ 276.207046 163.4
[M+Na]+ 298.188988 166.6
[M-H]- 274.192494 165.1
[M+NH4]+ 293.233593 170.5
[M+K]+ 314.162928 166.6
[M+H-H2O]+ 258.197030 158.5
[M+HCOO]- 320.197971 172.0
[M+CH3COO]- 334.213621 232.8
[M+Na-2H]- 296.174436 162.9
[M]+ 275.19922142 162.2
[M]- 275.20031858 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.