CID 3086797

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

Structural Information

Molecular Formula
C23H16N2O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=CC4=C2OC5=CC=CC=C5C4=O
InChI
InChI=1S/C23H16N2O2/c26-22-17-10-4-7-13-21(17)27-23-18(22)14-24-19-11-5-6-12-20(19)25(23)15-16-8-2-1-3-9-16/h1-14H,15H2
InChIKey
FWOVEZYLMUTLIA-UHFFFAOYSA-N
Compound name
6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12848 185.6
[M+Na]+ 375.11042 195.8
[M-H]- 351.11392 194.4
[M+NH4]+ 370.15502 196.8
[M+K]+ 391.08436 193.4
[M+H-H2O]+ 335.11846 176.3
[M+HCOO]- 397.11940 202.4
[M+CH3COO]- 411.13505 195.9
[M+Na-2H]- 373.09587 194.2
[M]+ 352.12065 185.7
[M]- 352.12175 185.7
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.