CID 29978685

Ly-301664

Structural Information

Molecular Formula
C12H10N2OS
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3NC2=O
InChI
InChI=1S/C12H10N2OS/c1-7-6-8-11(15)13-9-4-2-3-5-10(9)14-12(8)16-7/h2-6,14H,1H3,(H,13,15)
InChIKey
LVTDAJJOMLNXFS-UHFFFAOYSA-N
Compound name
2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

230.05139 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 149.7
[M+Na]+ 253.04061 158.6
[M-H]- 229.04411 152.0
[M+NH4]+ 248.08521 167.5
[M+K]+ 269.01455 156.4
[M+H-H2O]+ 213.04865 144.4
[M+HCOO]- 275.04959 162.0
[M+CH3COO]- 289.06524 160.9
[M+Na-2H]- 251.02606 152.4
[M]+ 230.05084 146.4
[M]- 230.05194 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe