CID 25205741

Ax-9657

Structural Information

Molecular Formula
C22H26N4O3
SMILES
CCC1=C2C(=CC(=C1)OC)N=C(OC2=O)C3=C(N=CC=C3)N4CC[C@@H](C4)N(C)C
InChI
InChI=1S/C22H26N4O3/c1-5-14-11-16(28-4)12-18-19(14)22(27)29-21(24-18)17-7-6-9-23-20(17)26-10-8-15(13-26)25(2)3/h6-7,9,11-12,15H,5,8,10,13H2,1-4H3/t15-/m0/s1
InChIKey
RCPIMTCZGQJSGZ-HNNXBMFYSA-N
Compound name
2-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]-5-ethyl-7-methoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

394.2005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20778 196.2
[M+Na]+ 417.18972 211.0
[M+NH4]+ 412.23432 202.6
[M+K]+ 433.16366 205.9
[M-H]- 393.19322 202.9
[M+Na-2H]- 415.17517 202.7
[M]+ 394.19995 200.2
[M]- 394.20105 200.2
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

patents stripe