CID 371890

Nsc646474

Structural Information

Molecular Formula
C26H27ClN4O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)Cl
InChI
InChI=1S/C26H27ClN4O2/c27-20-7-5-16(6-8-20)15-31-22-4-2-1-3-21(22)28-25(31)29-23(32)24(33)30-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19H,9-15H2,(H,30,33)(H,28,29,32)
InChIKey
QQUCEKVISCFPFP-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.18225 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18953 194.7
[M+Na]+ 485.17147 196.3
[M-H]- 461.17497 194.0
[M+NH4]+ 480.21607 209.6
[M+K]+ 501.14541 190.1
[M+H-H2O]+ 445.17951 183.6
[M+HCOO]- 507.18045 195.9
[M+CH3COO]- 521.19610 199.4
[M+Na-2H]- 483.15692 201.9
[M]+ 462.18170 197.8
[M]- 462.18280 197.8
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.