CID 68914

Piclonidine

Structural Information

Molecular Formula
C14H17Cl2N3O
SMILES
C1CCOC(C1)N(C2=C(C=CC=C2Cl)Cl)C3=NCCN3
InChI
InChI=1S/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)19(14-17-7-8-18-14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)
InChIKey
NYQGJEQCYOJBPV-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-N-(oxan-2-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

313.07486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08214 172.0
[M+Na]+ 336.06408 177.5
[M-H]- 312.06758 177.7
[M+NH4]+ 331.10868 184.5
[M+K]+ 352.03802 172.6
[M+H-H2O]+ 296.07212 162.7
[M+HCOO]- 358.07306 179.3
[M+CH3COO]- 372.08871 181.2
[M+Na-2H]- 334.04953 172.4
[M]+ 313.07431 169.2
[M]- 313.07541 169.2
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.