CID 25014

10159-05-4

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl
InChI
InChI=1S/C19H19ClN2O/c1-2-22-17-8-7-14(20)11-16(17)19-15-6-4-3-5-13(15)9-10-21(19)12-18(22)23/h3-8,11,19H,2,9-10,12H2,1H3
InChIKey
OGJZLAXQLAPHAL-UHFFFAOYSA-N
Compound name
2-chloro-5-ethyl-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

326.1186 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 175.0
[M+Na]+ 349.10782 184.7
[M-H]- 325.11132 179.1
[M+NH4]+ 344.15242 190.1
[M+K]+ 365.08176 181.0
[M+H-H2O]+ 309.11586 166.9
[M+HCOO]- 371.11680 184.5
[M+CH3COO]- 385.13245 184.9
[M+Na-2H]- 347.09327 179.5
[M]+ 326.11805 173.0
[M]- 326.11915 173.0
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.