CID 83090

5h-dibenzo(a,d)cyclohepta-1,4-diene, 5-(2-methylaminoethyloxyimino)-, hydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
CNCCON=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C18H20N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3
InChIKey
KULDNRCDSCKZMH-UHFFFAOYSA-N
Compound name
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 163.3
[M+Na]+ 303.146778 168.5
[M-H]- 279.150284 170.7
[M+NH4]+ 298.191383 180.6
[M+K]+ 319.120718 168.5
[M+H-H2O]+ 263.154820 157.2
[M+HCOO]- 325.155761 186.4
[M+CH3COO]- 339.171411 174.6
[M+Na-2H]- 301.132226 171.4
[M]+ 280.15701142 161.4
[M]- 280.15810858 161.4
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.