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]+ 325.20228 179.4
[M+Na]+ 347.18422 188.5
[M-H]- 323.18772 184.1
[M+NH4]+ 342.22882 192.4
[M+K]+ 363.15816 188.4
[M+H-H2O]+ 307.19226 169.9
[M+HCOO]- 369.19320 196.3
[M+CH3COO]- 383.20885 220.8
[M+Na-2H]- 345.16967 182.8
[M]+ 324.19445 180.9
[M]- 324.19555 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.