CID 9570401

Lm 2915

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
CNCCO/N=C/1\C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2O/c1-20-10-11-22-21-18-16-5-3-2-4-13(16)6-7-14-8-9-15(19)12-17(14)18/h2-9,12,20H,10-11H2,1H3/b21-18+
InChIKey
NHYIXWMELKGRDH-DYTRJAOYSA-N
Compound name
2-[(E)-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)amino]oxy-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10294 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 169.2
[M+Na]+ 335.09216 183.2
[M+NH4]+ 330.13676 178.2
[M+K]+ 351.06610 174.4
[M-H]- 311.09566 174.5
[M+Na-2H]- 333.07761 177.5
[M]+ 312.10239 173.2
[M]- 312.10349 173.2
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.