CID 84122

13961-22-3

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31
InChI
InChI=1S/C20H25N3O/c1-3-22(4-2)14-9-15-23-18-12-7-5-10-16(18)20(24)21-17-11-6-8-13-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,21,24)
InChIKey
IVFHUYCFFOSCLM-UHFFFAOYSA-N
Compound name
11-[3-(diethylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.0
[M+Na]+ 346.18899 183.5
[M-H]- 322.19249 181.3
[M+NH4]+ 341.23359 190.7
[M+K]+ 362.16293 182.3
[M+H-H2O]+ 306.19703 169.3
[M+HCOO]- 368.19797 194.5
[M+CH3COO]- 382.21362 187.0
[M+Na-2H]- 344.17444 182.6
[M]+ 323.19922 176.4
[M]- 323.20032 176.4
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.