CID 54712305

Nsc647599

Structural Information

Molecular Formula
C23H26N4O4
SMILES
C/C(=N\NC(=O)N)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C23H26N4O4/c1-14(25-26-23(24)30)17(13-27(2)3)19(15-9-5-4-6-10-15)20-21(28)16-11-7-8-12-18(16)31-22(20)29/h4-12,17,19,28H,13H2,1-3H3,(H3,24,26,30)/b25-14+
InChIKey
FPMUAHAGBPYEFC-AFUMVMLFSA-N
Compound name
[(E)-[3-[(dimethylamino)methyl]-4-(4-hydroxy-2-oxochromen-3-yl)-4-phenylbutan-2-ylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 204.6
[M+Na]+ 445.18462 207.1
[M-H]- 421.18812 213.0
[M+NH4]+ 440.22922 212.5
[M+K]+ 461.15856 206.6
[M+H-H2O]+ 405.19266 194.2
[M+HCOO]- 467.19360 225.6
[M+CH3COO]- 481.20925 242.6
[M+Na-2H]- 443.17007 205.1
[M]+ 422.19485 205.7
[M]- 422.19595 205.7
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.