CID 118522

5-(3-(diethylamino)propyl)-5,10-dihydro-11h-dibenzo(b,e)(1,4)diazepin-11-one n-oxide

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)O
InChI
InChI=1S/C20H25N3O2/c1-3-21(4-2)14-9-15-22-17-11-6-5-10-16(17)20(24)23(25)19-13-8-7-12-18(19)22/h5-8,10-13,25H,3-4,9,14-15H2,1-2H3
InChIKey
BIDVGQICULLMTO-UHFFFAOYSA-N
Compound name
11-[3-(diethylamino)propyl]-5-hydroxybenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 181.4
[M+Na]+ 362.18389 187.6
[M-H]- 338.18739 185.2
[M+NH4]+ 357.22849 193.8
[M+K]+ 378.15783 187.4
[M+H-H2O]+ 322.19193 172.8
[M+HCOO]- 384.19287 198.1
[M+CH3COO]- 398.20852 218.3
[M+Na-2H]- 360.16934 185.4
[M]+ 339.19412 181.5
[M]- 339.19522 181.5
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.