CID 3088343

1-butyl-2-iminobenzimidazoline-3-acetic acid n-adamaniylamide hydrochloride

Structural Information

Molecular Formula
C23H32N4O
SMILES
CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)NC3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C23H32N4O/c1-2-3-8-26-19-6-4-5-7-20(19)27(23(26)24)14-21(28)25-22-17-10-15-9-16(12-17)13-18(22)11-15/h4-7,15-18,22,24H,2-3,8-14H2,1H3,(H,25,28)
InChIKey
VXGIKPYBVWFOOW-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.2576 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26488 184.8
[M+Na]+ 403.24682 185.8
[M-H]- 379.25032 181.2
[M+NH4]+ 398.29142 201.1
[M+K]+ 419.22076 179.9
[M+H-H2O]+ 363.25486 175.4
[M+HCOO]- 425.25580 190.5
[M+CH3COO]- 439.27145 190.1
[M+Na-2H]- 401.23227 190.6
[M]+ 380.25705 186.2
[M]- 380.25815 186.2
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.