CID 27341

15496-52-3

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C18H20ClN3O/c1-20(2)10-11-22-17-12-13(19)8-9-16(17)21(3)15-7-5-4-6-14(15)18(22)23/h4-9,12H,10-11H2,1-3H3
InChIKey
ZBDKETZRZMSBHO-UHFFFAOYSA-N
Compound name
3-chloro-5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.136776 175.3
[M+Na]+ 352.118718 185.3
[M-H]- 328.122224 180.7
[M+NH4]+ 347.163323 190.2
[M+K]+ 368.092658 184.2
[M+H-H2O]+ 312.126760 167.1
[M+HCOO]- 374.127701 189.7
[M+CH3COO]- 388.143351 186.3
[M+Na-2H]- 350.104166 179.6
[M]+ 329.12895142 177.6
[M]- 329.13004858 177.6
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.