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]+ 247.191726 156.1
[M+Na]+ 269.173668 159.6
[M-H]- 245.177174 157.5
[M+NH4]+ 264.218273 163.5
[M+K]+ 285.147608 159.2
[M+H-H2O]+ 229.181710 151.5
[M+HCOO]- 291.182651 165.4
[M+CH3COO]- 305.198301 230.9
[M+Na-2H]- 267.159116 156.3
[M]+ 246.18390142 153.3
[M]- 246.18499858 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.