CID 371895

Nsc646478

Structural Information

Molecular Formula
C26H29ClN4O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=C(C=C6)Cl
InChI
InChI=1S/C26H29ClN4O/c27-21-7-5-17(6-8-21)15-30-22-3-1-2-4-23(22)31(25(30)28)16-24(32)29-26-12-18-9-19(13-26)11-20(10-18)14-26/h1-8,18-20,28H,9-16H2,(H,29,32)
InChIKey
NLCJDXJXFHTIAY-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.203 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21028 194.8
[M+Na]+ 471.19222 197.8
[M-H]- 447.19572 194.3
[M+NH4]+ 466.23682 210.5
[M+K]+ 487.16616 190.0
[M+H-H2O]+ 431.20026 183.3
[M+HCOO]- 493.20120 196.7
[M+CH3COO]- 507.21685 199.8
[M+Na-2H]- 469.17767 201.6
[M]+ 448.20245 197.4
[M]- 448.20355 197.4
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

No patent data available for this compound.