CID 148198

200484-11-3

Structural Information

Molecular Formula
C19H22ClN5O
SMILES
C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
InChI
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

71
References

774
Patents

371.15128 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15856 190.1
[M+Na]+ 394.14050 196.1
[M-H]- 370.14400 193.4
[M+NH4]+ 389.18510 199.5
[M+K]+ 410.11444 189.4
[M+H-H2O]+ 354.14854 173.5
[M+HCOO]- 416.14948 206.8
[M+CH3COO]- 430.16513 230.9
[M+Na-2H]- 392.12595 193.7
[M]+ 371.15073 187.5
[M]- 371.15183 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe