CID 386388

Nsc678359

Structural Information

Molecular Formula
C24H25N5O3
SMILES
CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32
InChI
InChI=1S/C24H25N5O3/c1-15-21(22(29-24(32)27-15)26-10-9-25-11-12-30)23(31)28-20-8-4-7-18-13-16-5-2-3-6-17(16)14-19(18)20/h2-8,13-14,25,30H,9-12H2,1H3,(H,28,31)(H2,26,27,29,32)
InChIKey
NFDFVCRJQZFRGP-UHFFFAOYSA-N
Compound name
N-anthracen-1-yl-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19574 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 200.7
[M+Na]+ 454.18496 207.0
[M-H]- 430.18846 204.1
[M+NH4]+ 449.22956 207.2
[M+K]+ 470.15890 199.6
[M+H-H2O]+ 414.19300 189.6
[M+HCOO]- 476.19394 219.4
[M+CH3COO]- 490.20959 207.8
[M+Na-2H]- 452.17041 207.7
[M]+ 431.19519 201.5
[M]- 431.19629 201.5
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.