CID 3086806

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

Structural Information

Molecular Formula
C24H15ClN2O3
SMILES
CC1=C(C=CC2=C1C(=O)C3=C(O2)N(C4=CC=CC=C4N=C3)C(=O)C5=CC=CC=C5)Cl
InChI
InChI=1S/C24H15ClN2O3/c1-14-17(25)11-12-20-21(14)22(28)16-13-26-18-9-5-6-10-19(18)27(24(16)30-20)23(29)15-7-3-2-4-8-15/h2-13H,1H3
InChIKey
LOBHMUNALUIMLE-UHFFFAOYSA-N
Compound name
6-benzoyl-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

414.07712 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.08440 199.8
[M+Na]+ 437.06634 217.7
[M+NH4]+ 432.11094 207.6
[M+K]+ 453.04028 208.9
[M-H]- 413.06984 206.2
[M+Na-2H]- 435.05179 206.9
[M]+ 414.07657 204.9
[M]- 414.07767 204.9
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.