CID 3059905

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

Structural Information

Molecular Formula
C24H18N2O2
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=CC=CC=C4N3CC5=CC=CC=C5
InChI
InChI=1S/C24H18N2O2/c1-16-11-12-22-18(13-16)23(27)19-14-25-20-9-5-6-10-21(20)26(24(19)28-22)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKey
ZDOFZCIHLOBDIU-UHFFFAOYSA-N
Compound name
6-benzyl-2-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14412 191.1
[M+Na]+ 389.12606 201.6
[M-H]- 365.12956 200.1
[M+NH4]+ 384.17066 202.0
[M+K]+ 405.10000 199.2
[M+H-H2O]+ 349.13410 181.6
[M+HCOO]- 411.13504 207.5
[M+CH3COO]- 425.15069 201.2
[M+Na-2H]- 387.11151 198.3
[M]+ 366.13629 191.8
[M]- 366.13739 191.8
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.