CID 3053099

69548-57-8

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CCN1CCCC1CNCC(=O)N2C3=CC=CC=C3C(=O)N(C4=C2N=CC=C4)C
InChI
InChI=1S/C22H27N5O2/c1-3-26-13-7-8-16(26)14-23-15-20(28)27-18-10-5-4-9-17(18)22(29)25(2)19-11-6-12-24-21(19)27/h4-6,9-12,16,23H,3,7-8,13-15H2,1-2H3
InChIKey
VNLBWIOYHGWVQW-UHFFFAOYSA-N
Compound name
11-[2-[(1-ethylpyrrolidin-2-yl)methylamino]acetyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.21646 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 197.9
[M+Na]+ 416.20568 207.4
[M+NH4]+ 411.25028 202.7
[M+K]+ 432.17962 203.6
[M-H]- 392.20918 199.5
[M+Na-2H]- 414.19113 200.4
[M]+ 393.21591 199.4
[M]- 393.21701 199.4
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