CID 135399280

Nsc683491

Structural Information

Molecular Formula
C15H20N4OS
SMILES
CN(C)CCN=C1C2CSCN2C(=O)C3=CC=CC=C3N1
InChI
InChI=1S/C15H20N4OS/c1-18(2)8-7-16-14-13-9-21-10-19(13)15(20)11-5-3-4-6-12(11)17-14/h3-6,13H,7-10H2,1-2H3,(H,16,17)
InChIKey
UKKLPUCNARPLGD-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13577 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14305 170.4
[M+Na]+ 327.12499 175.5
[M-H]- 303.12849 175.1
[M+NH4]+ 322.16959 186.3
[M+K]+ 343.09893 175.4
[M+H-H2O]+ 287.13303 162.4
[M+HCOO]- 349.13397 184.1
[M+CH3COO]- 363.14962 179.9
[M+Na-2H]- 325.11044 171.4
[M]+ 304.13522 167.8
[M]- 304.13632 167.8
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.