CID 9570367

Lm 2910

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CN(C)CCO/N=C/1\C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H19ClN2O/c1-22(2)11-12-23-21-19-17-6-4-3-5-14(17)7-8-15-9-10-16(20)13-18(15)19/h3-10,13H,11-12H2,1-2H3/b21-19+
InChIKey
HBSUQWXKPKMKIJ-XUTLUUPISA-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,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1186 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 175.1
[M+Na]+ 349.10782 184.4
[M-H]- 325.11132 184.3
[M+NH4]+ 344.15242 192.7
[M+K]+ 365.08176 184.0
[M+H-H2O]+ 309.11586 168.9
[M+HCOO]- 371.11680 196.8
[M+CH3COO]- 385.13245 187.4
[M+Na-2H]- 347.09327 182.5
[M]+ 326.11805 179.9
[M]- 326.11915 179.9
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.