CID 386390

Nsc678360

Structural Information

Molecular Formula
C24H28N6O3
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)N=C3NCCNCCO)C)C4=CC=CC=C41
InChI
InChI=1S/C24H28N6O3/c1-3-30-19-7-5-4-6-17(19)18-14-16(8-9-20(18)30)28-23(32)21-15(2)27-24(33)29-22(21)26-11-10-25-12-13-31/h4-9,14,25,31H,3,10-13H2,1-2H3,(H,28,32)(H2,26,27,29,33)
InChIKey
RQISRSCLDMYDJA-UHFFFAOYSA-N
Compound name
N-(9-ethylcarbazol-3-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

448.2223 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22958 206.5
[M+Na]+ 471.21152 213.5
[M-H]- 447.21502 209.6
[M+NH4]+ 466.25612 213.4
[M+K]+ 487.18546 206.1
[M+H-H2O]+ 431.21956 196.1
[M+HCOO]- 493.22050 224.9
[M+CH3COO]- 507.23615 238.4
[M+Na-2H]- 469.19697 210.2
[M]+ 448.22175 209.3
[M]- 448.22285 209.3
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.