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 192.9
[M+Na]+ 405.22610 192.5
[M-H]- 381.22960 197.5
[M+NH4]+ 400.27070 202.4
[M+K]+ 421.20004 188.1
[M+H-H2O]+ 365.23414 182.3
[M+HCOO]- 427.23508 217.4
[M+CH3COO]- 441.25073 227.9
[M+Na-2H]- 403.21155 196.3
[M]+ 382.23633 191.7
[M]- 382.23743 191.7
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