CID 424006

2-(9-julolidinylamino-2-oxazoline) dihydrochloride

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)NC4=NCCO4
InChI
InChI=1S/C15H19N3O/c1-3-11-9-13(17-15-16-5-8-19-15)10-12-4-2-7-18(6-1)14(11)12/h9-10H,1-8H2,(H,16,17)
InChIKey
HCXNWVUPLARPPG-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 156.7
[M+Na]+ 280.14202 161.5
[M-H]- 256.14552 161.1
[M+NH4]+ 275.18662 172.8
[M+K]+ 296.11596 158.2
[M+H-H2O]+ 240.15006 147.4
[M+HCOO]- 302.15100 171.6
[M+CH3COO]- 316.16665 166.9
[M+Na-2H]- 278.12747 162.3
[M]+ 257.15225 152.1
[M]- 257.15335 152.2
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.