CID 3048457

8h-pyrido(3,2,1-jk)-(1,4)-benzodiazepin-7-ol, 1,2,3,4,6,7-hexahydro-10-chloro-1-phenyl-

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
C1C=C2CNCC(N3C2=C(C1O)CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C18H19ClN2O/c19-17-9-7-14-16(22)8-6-13-10-20-11-15(21(17)18(13)14)12-4-2-1-3-5-12/h1-6,9,15-16,20,22H,7-8,10-11H2
InChIKey
QRDWZTJEQKJUCO-UHFFFAOYSA-N
Compound name
2-chloro-13-phenyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1186 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 173.7
[M+Na]+ 337.10782 181.0
[M-H]- 313.11132 176.5
[M+NH4]+ 332.15242 186.9
[M+K]+ 353.08176 177.1
[M+H-H2O]+ 297.11586 165.6
[M+HCOO]- 359.11680 181.0
[M+CH3COO]- 373.13245 182.2
[M+Na-2H]- 335.09327 177.6
[M]+ 314.11805 167.7
[M]- 314.11915 167.7
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.