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

4
Patents

380.2576 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.264876 197.3
[M+Na]+ 403.246818 205.5
[M-H]- 379.250324 201.5
[M+NH4]+ 398.291423 208.3
[M+K]+ 419.220758 204.7
[M+H-H2O]+ 363.254860 187.2
[M+HCOO]- 425.255801 212.8
[M+CH3COO]- 439.271451 233.0
[M+Na-2H]- 401.232266 197.9
[M]+ 380.25705142 200.3
[M]- 380.25814858 200.3
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