CID 453275

133626-69-4

Structural Information

Molecular Formula
C19H24N4O
SMILES
CC1=CC2=C(C=C1C)N(C3=C(C=CC=N3)C(=O)N2C)CCN(C)C
InChI
InChI=1S/C19H24N4O/c1-13-11-16-17(12-14(13)2)23(10-9-21(3)4)18-15(7-6-8-20-18)19(24)22(16)5/h6-8,11-12H,9-10H2,1-5H3
InChIKey
PYFBIRQFWDPRFT-UHFFFAOYSA-N
Compound name
11-[2-(dimethylamino)ethyl]-6,8,9-trimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.202276 179.4
[M+Na]+ 347.184218 188.5
[M-H]- 323.187724 184.1
[M+NH4]+ 342.228823 192.4
[M+K]+ 363.158158 188.4
[M+H-H2O]+ 307.192260 169.9
[M+HCOO]- 369.193201 196.3
[M+CH3COO]- 383.208851 220.8
[M+Na-2H]- 345.169666 182.8
[M]+ 324.19445142 180.9
[M]- 324.19554858 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.