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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.7
[M+Na]+ 400.19955 201.3
[M-H]- 376.20305 202.8
[M+NH4]+ 395.24415 204.0
[M+K]+ 416.17349 199.9
[M+H-H2O]+ 360.20759 183.0
[M+HCOO]- 422.20853 207.5
[M+CH3COO]- 436.22418 203.2
[M+Na-2H]- 398.18500 197.9
[M]+ 377.20978 191.0
[M]- 377.21088 191.0
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.