CID 202373

Brn 0699245

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C=CCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI
InChI=1S/C20H19ClN2O/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/h2-8,12,20H,1,9-11,13H2
InChIKey
LVHIVUKQCGDLQX-UHFFFAOYSA-N
Compound name
2-chloro-5-prop-2-enyl-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

338.1186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 178.7
[M+Na]+ 361.10782 188.3
[M-H]- 337.11132 182.7
[M+NH4]+ 356.15242 193.2
[M+K]+ 377.08176 183.7
[M+H-H2O]+ 321.11586 170.4
[M+HCOO]- 383.11680 188.0
[M+CH3COO]- 397.13245 188.2
[M+Na-2H]- 359.09327 182.7
[M]+ 338.11805 176.3
[M]- 338.11915 176.3
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.