CID 135483993

Ign-2098

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CC1=C(N=C(NC1=O)NC/C=C\COC2=CC=CC(=C2)CN3CCCCC3)C
InChI
InChI=1S/C22H30N4O2/c1-17-18(2)24-22(25-21(17)27)23-11-4-7-14-28-20-10-8-9-19(15-20)16-26-12-5-3-6-13-26/h4,7-10,15H,3,5-6,11-14,16H2,1-2H3,(H2,23,24,25,27)/b7-4-
InChIKey
INJSHTCBZFXDQA-DAXSKMNVSA-N
Compound name
4,5-dimethyl-2-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6
Patents

382.23688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 197.3
[M+Na]+ 405.22610 209.8
[M+NH4]+ 400.27070 202.4
[M+K]+ 421.20004 201.4
[M-H]- 381.22960 201.2
[M+Na-2H]- 403.21155 203.8
[M]+ 382.23633 199.9
[M]- 382.23743 199.9
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