CID 3050556

5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-11-(3-(diethylamino)propyl)-2,6,8,9-tetramethyl-, (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C23H32N4O
SMILES
CCN(CC)CCCN1C2=C(C=C(C(=C2)C)C)N(C(=O)C3=C1N=C(C=C3)C)C
InChI
InChI=1S/C23H32N4O/c1-7-26(8-2)12-9-13-27-21-15-17(4)16(3)14-20(21)25(6)23(28)19-11-10-18(5)24-22(19)27/h10-11,14-15H,7-9,12-13H2,1-6H3
InChIKey
BSWOEKLZLBHENE-UHFFFAOYSA-N
Compound name
11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.2576 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26488 196.6
[M+Na]+ 403.24682 208.6
[M+NH4]+ 398.29142 202.4
[M+K]+ 419.22076 201.7
[M-H]- 379.25032 198.8
[M+Na-2H]- 401.23227 199.6
[M]+ 380.25705 199.0
[M]- 380.25815 199.0
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

patents stripe