CID 216957

Ld-w 510-69

Structural Information

Molecular Formula

C₂₃H₂₇N₃O₂

SMILES

CC1(C2=CC=CC=C2C(=NN(C1=O)CCN3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O2/c1-23(2)20-11-7-6-10-19(20)21(18-8-4-3-5-9-18)24-26(22(23)27)13-12-25-14-16-28-17-15-25/h3-11H,12-17H2,1-2H3

InChIKey

WTCMYQSFKDOLMI-UHFFFAOYSA-N

Compound name

5,5-dimethyl-3-(2-morpholin-4-ylethyl)-1-phenyl-2,3-benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 377.21033 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	378.217606	195.7
[M+Na]+	400.199548	201.3
[M-H]-	376.203054	202.8
[M+NH4]+	395.244153	204.0
[M+K]+	416.173488	199.9
[M+H-H2O]+	360.207590	183.0
[M+HCOO]-	422.208531	207.5
[M+CH3COO]-	436.224181	203.2
[M+Na-2H]-	398.184996	197.9
[M]+	377.20978142	191.0
[M]-	377.21087858	191.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.