CID 3086804

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

Structural Information

Molecular Formula
C19H15ClN2O2
SMILES
CCN1C2=CC=CC=C2N=CC3=C1OC4=C(C3=O)C(=C(C=C4)Cl)C
InChI
InChI=1S/C19H15ClN2O2/c1-3-22-15-7-5-4-6-14(15)21-10-12-18(23)17-11(2)13(20)8-9-16(17)24-19(12)22/h4-10H,3H2,1-2H3
InChIKey
UAVCUSDDPGXILI-UHFFFAOYSA-N
Compound name
2-chloro-6-ethyl-1-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0822 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08948 177.0
[M+Na]+ 361.07142 190.7
[M-H]- 337.07492 183.5
[M+NH4]+ 356.11602 191.1
[M+K]+ 377.04536 188.7
[M+H-H2O]+ 321.07946 169.2
[M+HCOO]- 383.08040 189.9
[M+CH3COO]- 397.09605 188.8
[M+Na-2H]- 359.05687 184.2
[M]+ 338.08165 181.5
[M]- 338.08275 181.5
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.