CID 3003092

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

Structural Information

Molecular Formula
C15H11ClN2OS
SMILES
CONC1=C2C=C(C=CC2=NC(=S)C3=CC=CC=C31)Cl
InChI
InChI=1S/C15H11ClN2OS/c1-19-18-14-10-4-2-3-5-11(10)15(20)17-13-7-6-9(16)8-12(13)14/h2-8,18H,1H3
InChIKey
CLSKARVBDGFXCF-UHFFFAOYSA-N
Compound name
2-chloro-11-(methoxyamino)benzo[c][1]benzazepine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.02808 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03536 164.1
[M+Na]+ 325.01730 175.6
[M-H]- 301.02080 170.2
[M+NH4]+ 320.06190 181.1
[M+K]+ 340.99124 173.8
[M+H-H2O]+ 285.02534 158.6
[M+HCOO]- 347.02628 178.0
[M+CH3COO]- 361.04193 176.3
[M+Na-2H]- 323.00275 170.4
[M]+ 302.02753 168.1
[M]- 302.02863 168.1
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.