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 170.7
[M+Na]+ 335.09216 180.3
[M-H]- 311.09566 178.7
[M+NH4]+ 330.13676 188.3
[M+K]+ 351.06610 178.9
[M+H-H2O]+ 295.10020 164.9
[M+HCOO]- 357.10114 192.3
[M+CH3COO]- 371.11679 183.0
[M+Na-2H]- 333.07761 179.4
[M]+ 312.10239 174.0
[M]- 312.10349 174.0
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.