CID 3053104

69549-19-5

Structural Information

Molecular Formula
C20H20N4O2
SMILES
CN1C2=C(N=CC=C2)N(C3=CC=CC=C3C1=O)C(=O)CN4CCC=CC4
InChI
InChI=1S/C20H20N4O2/c1-22-17-10-7-11-21-19(17)24(16-9-4-3-8-15(16)20(22)26)18(25)14-23-12-5-2-6-13-23/h2-5,7-11H,6,12-14H2,1H3
InChIKey
NVLHONFAIIXLPC-UHFFFAOYSA-N
Compound name
11-[2-(3,6-dihydro-2H-pyridin-1-yl)acetyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.15863 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 185.2
[M+Na]+ 371.14785 192.2
[M-H]- 347.15135 189.0
[M+NH4]+ 366.19245 194.0
[M+K]+ 387.12179 190.0
[M+H-H2O]+ 331.15589 173.4
[M+HCOO]- 393.15683 196.8
[M+CH3COO]- 407.17248 193.1
[M+Na-2H]- 369.13330 188.6
[M]+ 348.15808 180.8
[M]- 348.15918 180.8
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