CID 377689

N-(2-guanidinoethyl)-1,2,3,4,5,6-hexahydro-1-benzazocine hydroiodide

Structural Information

Molecular Formula
C14H22N4
SMILES
C1CCC2=CC=CC=C2N(CC1)CCN=C(N)N
InChI
InChI=1S/C14H22N4/c15-14(16)17-9-11-18-10-5-1-2-6-12-7-3-4-8-13(12)18/h3-4,7-8H,1-2,5-6,9-11H2,(H4,15,16,17)
InChIKey
XKFYEYLSAOJVOT-UHFFFAOYSA-N
Compound name
2-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.18445 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19173 156.1
[M+Na]+ 269.17367 159.6
[M-H]- 245.17717 157.5
[M+NH4]+ 264.21827 163.5
[M+K]+ 285.14761 159.2
[M+H-H2O]+ 229.18171 151.5
[M+HCOO]- 291.18265 165.4
[M+CH3COO]- 305.19830 230.9
[M+Na-2H]- 267.15912 156.3
[M]+ 246.18390 153.3
[M]- 246.18500 153.3
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.