CID 9570526

34144-37-1

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)CCO/N=C/1\C2=C(CCC3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C18H21N3O/c1-21(2)12-13-22-20-18-15-7-4-3-6-14(15)9-10-17-16(18)8-5-11-19-17/h3-8,11H,9-10,12-13H2,1-2H3/b20-18-
InChIKey
KSWPYTWRTVSOJG-ZZEZOPTASA-N
Compound name
2-[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 167.9
[M+Na]+ 318.15768 173.3
[M-H]- 294.16118 175.2
[M+NH4]+ 313.20228 183.9
[M+K]+ 334.13162 174.4
[M+H-H2O]+ 278.16572 159.9
[M+HCOO]- 340.16666 190.2
[M+CH3COO]- 354.18231 178.9
[M+Na-2H]- 316.14313 175.4
[M]+ 295.16791 167.6
[M]- 295.16901 167.6
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.