CID 3050558

5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-11-(3-(diethylamino)propyl)-2,6-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C21H28N4O
SMILES
CCN(CC)CCCN1C2=CC=CC=C2N(C(=O)C3=C1N=C(C=C3)C)C
InChI
InChI=1S/C21H28N4O/c1-5-24(6-2)14-9-15-25-19-11-8-7-10-18(19)23(4)21(26)17-13-12-16(3)22-20(17)25/h7-8,10-13H,5-6,9,14-15H2,1-4H3
InChIKey
RZFBDUOFIKXQLC-UHFFFAOYSA-N
Compound name
11-[3-(diethylamino)propyl]-2,6-dimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

352.22632 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 186.9
[M+Na]+ 375.21554 198.7
[M+NH4]+ 370.26014 193.1
[M+K]+ 391.18948 191.9
[M-H]- 351.21904 189.1
[M+Na-2H]- 373.20099 191.0
[M]+ 352.22577 189.3
[M]- 352.22687 189.3
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

patents stripe