CID 379654

Nsc664532

Structural Information

Molecular Formula
C25H26N4O2
SMILES
CCN(CC)CC1=CC=CC=C1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C25H26N4O2/c1-3-28(4-2)17-19-11-6-5-10-18(19)16-23(30)29-22-14-8-7-12-20(22)25(31)27-21-13-9-15-26-24(21)29/h5-15H,3-4,16-17H2,1-2H3,(H,27,31)
InChIKey
PGJBMCFWHOCWEO-UHFFFAOYSA-N
Compound name
11-[2-[2-(diethylaminomethyl)phenyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.20557 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21285 203.5
[M+Na]+ 437.19479 209.1
[M-H]- 413.19829 208.7
[M+NH4]+ 432.23939 210.9
[M+K]+ 453.16873 207.2
[M+H-H2O]+ 397.20283 192.3
[M+HCOO]- 459.20377 217.6
[M+CH3COO]- 473.21942 210.5
[M+Na-2H]- 435.18024 206.2
[M]+ 414.20502 201.8
[M]- 414.20612 201.8
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

No patent data available for this compound.