CID 44137675

1173900-33-8

Structural Information

Molecular Formula
C22H24N4O4
SMILES
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
InChI
InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
InChIKey
IRTDIKMSKMREGO-OAHLLOKOSA-N
Compound name
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

948
Patents

408.17975 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18703 198.1
[M+Na]+ 431.16897 211.6
[M+NH4]+ 426.21357 202.9
[M+K]+ 447.14291 206.0
[M-H]- 407.17247 203.4
[M+Na-2H]- 429.15442 203.7
[M]+ 408.17920 201.3
[M]- 408.18030 201.3
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