CID 3087627

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 2-chloro-6-ethyl-1-methyl-9-nitro-

Structural Information

Molecular Formula
C19H14ClN3O4
SMILES
CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4=C(C3=O)C(=C(C=C4)Cl)C
InChI
InChI=1S/C19H14ClN3O4/c1-3-22-15-6-4-11(23(25)26)8-14(15)21-9-12-18(24)17-10(2)13(20)5-7-16(17)27-19(12)22/h4-9H,3H2,1-2H3
InChIKey
REIDITMSAPHGJG-UHFFFAOYSA-N
Compound name
2-chloro-6-ethyl-1-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07458 190.4
[M+Na]+ 406.05652 206.9
[M+NH4]+ 401.10112 197.5
[M+K]+ 422.03046 201.8
[M-H]- 382.06002 195.5
[M+Na-2H]- 404.04197 194.5
[M]+ 383.06675 194.7
[M]- 383.06785 194.7
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.