CID 3071171

87474-35-9

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC(=O)NCC1CC(NC2=C(N1)C=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N4O/c1-12(22)19-11-14-10-16(13-6-3-2-4-7-13)21-17-15(20-14)8-5-9-18-17/h2-9,14,16,20H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKey
OEJCSNLWCXRCTJ-UHFFFAOYSA-N
Compound name
N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 171.0
[M+Na]+ 319.15292 181.0
[M+NH4]+ 314.19752 176.7
[M+K]+ 335.12686 175.8
[M-H]- 295.15642 173.0
[M+Na-2H]- 317.13837 176.7
[M]+ 296.16315 172.7
[M]- 296.16425 172.7
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

No patent data available for this compound.