CID 36379

Brn 0799546

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CCOC(C1=CC=CC=C1Cl)C2=NCCCCN2
InChI
InChI=1S/C14H19ClN2O/c1-2-18-13(11-7-3-4-8-12(11)15)14-16-9-5-6-10-17-14/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKey
UDYIYXMFBKFFBD-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)-ethoxymethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 158.7
[M+Na]+ 289.10782 169.9
[M+NH4]+ 284.15242 165.9
[M+K]+ 305.08176 164.1
[M-H]- 265.11132 161.1
[M+Na-2H]- 287.09327 165.8
[M]+ 266.11805 161.2
[M]- 266.11915 161.2
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.