CID 5883973

Nsc659429

Structural Information

Molecular Formula
C28H40N6O4
SMILES
CC(C)N(CN1C(=O)/C(=C/C2=CC(=CC=C2)/C=C/3\C(=O)N(C(=O)N3)CN(C(C)C)C(C)C)/NC1=O)C(C)C
InChI
InChI=1S/C28H40N6O4/c1-17(2)31(18(3)4)15-33-25(35)23(29-27(33)37)13-21-10-9-11-22(12-21)14-24-26(36)34(28(38)30-24)16-32(19(5)6)20(7)8/h9-14,17-20H,15-16H2,1-8H3,(H,29,37)(H,30,38)/b23-13-,24-14+
InChIKey
CZEZTRQEHHPQMD-NQGGHMMCSA-N
Compound name
(5Z)-3-[[di(propan-2-yl)amino]methyl]-5-[[3-[(E)-[1-[[di(propan-2-yl)amino]methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenyl]methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.3111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.31838 228.3
[M+Na]+ 547.30032 229.4
[M-H]- 523.30382 233.2
[M+NH4]+ 542.34492 231.6
[M+K]+ 563.27426 225.8
[M+H-H2O]+ 507.30836 219.2
[M+HCOO]- 569.30930 238.1
[M+CH3COO]- 583.32495 258.0
[M+Na-2H]- 545.28577 214.3
[M]+ 524.31055 227.2
[M]- 524.31165 227.2
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.