CID 3074601

159872-32-9

Structural Information

Molecular Formula
C27H44N6O
SMILES
C=CCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4
InChI
InChI=1S/C27H44N6O/c1-2-3-4-5-6-7-8-9-14-26(34)32-21-19-31(20-22-32)25-23-24(30-15-10-11-16-30)28-27(29-25)33-17-12-13-18-33/h2,23H,1,3-22H2
InChIKey
XVMLRAGUNKMVBU-UHFFFAOYSA-N
Compound name
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

468.35767 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.36495 221.1
[M+Na]+ 491.34689 219.8
[M-H]- 467.35039 222.9
[M+NH4]+ 486.39149 223.1
[M+K]+ 507.32083 212.8
[M+H-H2O]+ 451.35493 205.8
[M+HCOO]- 513.35587 226.6
[M+CH3COO]- 527.37152 234.6
[M+Na-2H]- 489.33234 210.2
[M]+ 468.35712 214.4
[M]- 468.35822 214.4
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