CID 3086800

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

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
CN1C2=CC=CC=C2N=CC3=C1OC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN2O2/c1-20-14-5-3-2-4-13(14)19-9-12-16(21)11-8-10(18)6-7-15(11)22-17(12)20/h2-9H,1H3
InChIKey
JWYSANWQFNYFJY-UHFFFAOYSA-N
Compound name
2-chloro-6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05818 168.9
[M+Na]+ 333.04012 186.0
[M+NH4]+ 328.08472 177.6
[M+K]+ 349.01406 178.1
[M-H]- 309.04362 173.7
[M+Na-2H]- 331.02557 175.5
[M]+ 310.05035 173.4
[M]- 310.05145 173.4
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.