CID 337414

77615-71-5

Structural Information

Molecular Formula
C19H21N3S
SMILES
CCN(CC)C1=NC2=CC=CC=C2N(C(=S)C1)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3S/c1-3-21(4-2)18-14-19(23)22(15-10-6-5-7-11-15)17-13-9-8-12-16(17)20-18/h5-13H,3-4,14H2,1-2H3
InChIKey
NLUOYPTZJQQODV-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-phenyl-3H-1,5-benzodiazepine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14563 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.152906 177.4
[M+Na]+ 346.134848 183.6
[M-H]- 322.138354 184.3
[M+NH4]+ 341.179453 190.2
[M+K]+ 362.108788 182.7
[M+H-H2O]+ 306.142890 168.5
[M+HCOO]- 368.143831 192.0
[M+CH3COO]- 382.159481 187.1
[M+Na-2H]- 344.120296 179.4
[M]+ 323.14508142 176.5
[M]- 323.14617858 176.5
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.