CID 3086805

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 2-chloro-1-methyl-6-(phenylmethyl)-

Structural Information

Molecular Formula
C24H17ClN2O2
SMILES
CC1=C(C=CC2=C1C(=O)C3=C(O2)N(C4=CC=CC=C4N=C3)CC5=CC=CC=C5)Cl
InChI
InChI=1S/C24H17ClN2O2/c1-15-18(25)11-12-21-22(15)23(28)17-13-26-19-9-5-6-10-20(19)27(24(17)29-21)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKey
IQYZFBJIRISDOJ-UHFFFAOYSA-N
Compound name
6-benzyl-2-chloro-1-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.09787 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10515 199.0
[M+Na]+ 423.08709 217.7
[M+NH4]+ 418.13169 207.6
[M+K]+ 439.06103 207.6
[M-H]- 399.09059 206.2
[M+Na-2H]- 421.07254 206.8
[M]+ 400.09732 204.6
[M]- 400.09842 204.6
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.