CID 19792

Brn 0896434

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CN(C)CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC(=C3)OC
InChI
InChI=1S/C18H21N3O2/c1-20(2)10-11-21-17-7-5-4-6-15(17)19-16-12-13(23-3)8-9-14(16)18(21)22/h4-9,12,19H,10-11H2,1-3H3
InChIKey
QBBXYGIYHGHEKF-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 172.1
[M+Na]+ 334.15262 183.4
[M+NH4]+ 329.19722 178.8
[M+K]+ 350.12656 177.8
[M-H]- 310.15612 174.2
[M+Na-2H]- 332.13807 176.8
[M]+ 311.16285 174.3
[M]- 311.16395 174.3
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.