CID 2818389

39072-70-3

Structural Information

Molecular Formula
C22H30N4O2
SMILES
C1=CC=C(C=C1)CNC(=O)NCCCCCCNC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C22H30N4O2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)
InChIKey
KTVATEBHFLZLCI-UHFFFAOYSA-N
Compound name
1-benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

382.23688 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 198.2
[M+Na]+ 405.22610 205.6
[M+NH4]+ 400.27070 203.2
[M+K]+ 421.20004 198.0
[M-H]- 381.22960 202.8
[M+Na-2H]- 403.21155 204.4
[M]+ 382.23633 200.0
[M]- 382.23743 200.0
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

patents stripe