CID 3041742

11-(3-diethylaminopropyl)-6,11-dihydro-6-methyl-5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one hcl

Structural Information

Molecular Formula
C20H26N4O
SMILES
CCN(CC)CCCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C20H26N4O/c1-4-23(5-2)14-9-15-24-18-12-7-6-11-17(18)22(3)20(25)16-10-8-13-21-19(16)24/h6-8,10-13H,4-5,9,14-15H2,1-3H3
InChIKey
WFSHZGWLACIEOH-UHFFFAOYSA-N
Compound name
11-[3-(diethylamino)propyl]-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.21066 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 183.0
[M+Na]+ 361.19988 189.9
[M-H]- 337.20338 186.6
[M+NH4]+ 356.24448 194.8
[M+K]+ 377.17382 189.3
[M+H-H2O]+ 321.20792 172.7
[M+HCOO]- 383.20886 199.6
[M+CH3COO]- 397.22451 221.2
[M+Na-2H]- 359.18533 187.3
[M]+ 338.21011 183.9
[M]- 338.21121 183.9
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