CID 3711857

77703-55-0

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CC(C)NC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC(C)C
InChI
InChI=1S/C21H28N4O2/c1-14(2)22-20(26)24-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)25-21(27)23-15(3)4/h5-12,14-15H,13H2,1-4H3,(H2,22,24,26)(H2,23,25,27)
InChIKey
UIALFAWMDHJGMF-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 192.9
[M+Na]+ 391.21044 194.2
[M-H]- 367.21394 198.8
[M+NH4]+ 386.25504 203.5
[M+K]+ 407.18438 191.5
[M+H-H2O]+ 351.21848 183.3
[M+HCOO]- 413.21942 215.7
[M+CH3COO]- 427.23507 229.3
[M+Na-2H]- 389.19589 192.6
[M]+ 368.22067 191.0
[M]- 368.22177 191.0
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.