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 198.5
[M+Na]+ 437.06634 211.1
[M-H]- 413.06984 207.6
[M+NH4]+ 432.11094 208.7
[M+K]+ 453.04028 208.9
[M+H-H2O]+ 397.07438 189.0
[M+HCOO]- 459.07532 210.2
[M+CH3COO]- 473.09097 208.6
[M+Na-2H]- 435.05179 204.0
[M]+ 414.07657 202.2
[M]- 414.07767 202.2
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.