CID 155590556

Schembl22927864

Structural Information

Molecular Formula
C23H21N5O4
SMILES
CN1C(=O)C(=C(N=C1N(C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CON=C4)O
InChI
InChI=1S/C23H21N5O4/c1-27(19(15-9-5-3-6-10-15)16-11-7-4-8-12-16)23-26-18(20(29)22(31)28(23)2)21(30)25-17-13-24-32-14-17/h3-14,19,29H,1-2H3,(H,25,30)
InChIKey
LMOYGUNEKZXDGI-UHFFFAOYSA-N
Compound name
2-[benzhydryl(methyl)amino]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.15936 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 201.4
[M+Na]+ 454.14858 207.1
[M-H]- 430.15208 211.9
[M+NH4]+ 449.19318 205.5
[M+K]+ 470.12252 203.8
[M+H-H2O]+ 414.15662 189.0
[M+HCOO]- 476.15756 221.0
[M+CH3COO]- 490.17321 209.8
[M+Na-2H]- 452.13403 202.6
[M]+ 431.15881 203.6
[M]- 431.15991 203.6
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