CID 3086803

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

Structural Information

Molecular Formula
C18H13ClN2O2
SMILES
CC1=C(C=CC2=C1C(=O)C3=C(O2)N(C4=CC=CC=C4N=C3)C)Cl
InChI
InChI=1S/C18H13ClN2O2/c1-10-12(19)7-8-15-16(10)17(22)11-9-20-13-5-3-4-6-14(13)21(2)18(11)23-15/h3-9H,1-2H3
InChIKey
BYOUSBNSYCDYIS-UHFFFAOYSA-N
Compound name
2-chloro-1,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.06656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07384 172.4
[M+Na]+ 347.05578 186.5
[M-H]- 323.05928 179.1
[M+NH4]+ 342.10038 187.1
[M+K]+ 363.02972 184.7
[M+H-H2O]+ 307.06382 164.8
[M+HCOO]- 369.06476 185.7
[M+CH3COO]- 383.08041 184.6
[M+Na-2H]- 345.04123 180.2
[M]+ 324.06601 176.6
[M]- 324.06711 176.6
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.