CID 135423078

Ads-j11

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CC1=CC(=C(C=C1)N(C(C)C2=NC3=CC=CC=C3C(=O)N2)C(=O)NC4=CC=CC=C4)C
InChI
InChI=1S/C25H24N4O2/c1-16-13-14-22(17(2)15-16)29(25(31)26-19-9-5-4-6-10-19)18(3)23-27-21-12-8-7-11-20(21)24(30)28-23/h4-15,18H,1-3H3,(H,26,31)(H,27,28,30)
InChIKey
DNCWQCPKPXRZQQ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

412.1899 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 200.9
[M+Na]+ 435.17912 206.4
[M-H]- 411.18262 208.7
[M+NH4]+ 430.22372 208.2
[M+K]+ 451.15306 200.3
[M+H-H2O]+ 395.18716 188.9
[M+HCOO]- 457.18810 219.3
[M+CH3COO]- 471.20375 208.8
[M+Na-2H]- 433.16457 203.9
[M]+ 412.18935 200.3
[M]- 412.19045 200.3
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.