CID 3054331

Brn 1081796

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)16(20)12-9-18-13-4-2-3-5-14(13)19-17(12)21-15/h2-9,19H,1H3
InChIKey
NGRBCJLXDOSDST-UHFFFAOYSA-N
Compound name
2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.097146 161.2
[M+Na]+ 299.079088 172.2
[M-H]- 275.082594 166.6
[M+NH4]+ 294.123693 175.5
[M+K]+ 315.053028 170.8
[M+H-H2O]+ 259.087130 154.0
[M+HCOO]- 321.088071 177.7
[M+CH3COO]- 335.103721 172.9
[M+Na-2H]- 297.064536 170.9
[M]+ 276.08932142 160.7
[M]- 276.09041858 160.7
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.