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

literature stripe

Patent stripe

patents stripe