CID 367663

3-methyl-11-phenyl-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3h)-one

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1
InChI
InChI=1S/C19H18N2O2/c1-12-11-16-17(19(22)23-12)18(13-7-3-2-4-8-13)21-15-10-6-5-9-14(15)20-16/h2-10,12,18,20-21H,11H2,1H3
InChIKey
YBSLINJTEXAWIR-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-2,5,6,11-tetrahydro-1H-pyrano[3,4-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.6
[M+Na]+ 329.12606 179.2
[M-H]- 305.12956 177.3
[M+NH4]+ 324.17066 183.4
[M+K]+ 345.10000 177.3
[M+H-H2O]+ 289.13410 164.2
[M+HCOO]- 351.13504 184.4
[M+CH3COO]- 365.15069 181.5
[M+Na-2H]- 327.11151 177.3
[M]+ 306.13629 165.6
[M]- 306.13739 165.6
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.