CID 3061641

79513-48-7

Structural Information

Molecular Formula
C25H40N4O
SMILES
CCCC(CC1CCCCC1)N(C)CCN2CCCN3C2=NC4=C3C=CC(=C4)OC
InChI
InChI=1S/C25H40N4O/c1-4-9-21(18-20-10-6-5-7-11-20)27(2)16-17-28-14-8-15-29-24-13-12-22(30-3)19-23(24)26-25(28)29/h12-13,19-21H,4-11,14-18H2,1-3H3
InChIKey
LIKMEVDJGYHHIS-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[2-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]-N-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.32022 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.32750 206.2
[M+Na]+ 435.30944 207.6
[M-H]- 411.31294 209.4
[M+NH4]+ 430.35404 216.0
[M+K]+ 451.28338 202.6
[M+H-H2O]+ 395.31748 194.0
[M+HCOO]- 457.31842 217.7
[M+CH3COO]- 471.33407 233.6
[M+Na-2H]- 433.29489 203.8
[M]+ 412.31967 205.2
[M]- 412.32077 205.2
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.