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]+ 324.15291 177.4
[M+Na]+ 346.13485 183.6
[M-H]- 322.13835 184.3
[M+NH4]+ 341.17945 190.2
[M+K]+ 362.10879 182.7
[M+H-H2O]+ 306.14289 168.5
[M+HCOO]- 368.14383 192.0
[M+CH3COO]- 382.15948 187.1
[M+Na-2H]- 344.12030 179.4
[M]+ 323.14508 176.5
[M]- 323.14618 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.