CID 202374

Brn 0701636

Structural Information

Molecular Formula
C20H21ClN2O
SMILES
CCCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI
InChI=1S/C20H21ClN2O/c1-2-10-23-18-8-7-15(21)12-17(18)20-16-6-4-3-5-14(16)9-11-22(20)13-19(23)24/h3-8,12,20H,2,9-11,13H2,1H3
InChIKey
SGLYYKSOYJSBKO-UHFFFAOYSA-N
Compound name
2-chloro-5-propyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14153 179.4
[M+Na]+ 363.12347 188.7
[M-H]- 339.12697 183.4
[M+NH4]+ 358.16807 194.0
[M+K]+ 379.09741 184.8
[M+H-H2O]+ 323.13151 171.1
[M+HCOO]- 385.13245 188.6
[M+CH3COO]- 399.14810 188.9
[M+Na-2H]- 361.10892 183.4
[M]+ 340.13370 177.7
[M]- 340.13480 177.7
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.