CID 3043228

Brn 0860835

Structural Information

Molecular Formula
C24H34N6O2
SMILES
C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2)CCCNC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C24H34N6O2/c31-23(27-21-9-3-1-4-10-21)25-13-7-15-29-17-19-30(20-18-29)16-8-14-26-24(32)28-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2,(H2,25,27,31)(H2,26,28,32)
InChIKey
OCKWUABKWFSMQZ-UHFFFAOYSA-N
Compound name
1-phenyl-3-[3-[4-[3-(phenylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

438.27432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28160 202.7
[M+Na]+ 461.26354 200.5
[M-H]- 437.26704 207.2
[M+NH4]+ 456.30814 206.8
[M+K]+ 477.23748 195.5
[M+H-H2O]+ 421.27158 189.8
[M+HCOO]- 483.27252 221.1
[M+CH3COO]- 497.28817 237.5
[M+Na-2H]- 459.24899 205.6
[M]+ 438.27377 197.0
[M]- 438.27487 197.0
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