CID 3003090

(11e)-2-chloro-11-(2-dimethylaminoethyloxyimino)-5h-benzo[c][1]benzazepine-6-thione

Structural Information

Molecular Formula
C18H18ClN3OS
SMILES
CN(C)CCONC1=C2C=C(C=CC2=NC(=S)C3=CC=CC=C31)Cl
InChI
InChI=1S/C18H18ClN3OS/c1-22(2)9-10-23-21-17-13-5-3-4-6-14(13)18(24)20-16-8-7-12(19)11-15(16)17/h3-8,11,21H,9-10H2,1-2H3
InChIKey
WCUQNMIVZSTYCG-UHFFFAOYSA-N
Compound name
2-chloro-11-[2-(dimethylamino)ethoxyamino]benzo[c][1]benzazepine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0859 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09318 181.2
[M+Na]+ 382.07512 190.7
[M-H]- 358.07862 188.0
[M+NH4]+ 377.11972 196.2
[M+K]+ 398.04906 189.7
[M+H-H2O]+ 342.08316 174.4
[M+HCOO]- 404.08410 195.5
[M+CH3COO]- 418.09975 192.1
[M+Na-2H]- 380.06057 186.1
[M]+ 359.08535 186.7
[M]- 359.08645 186.7
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.