CID 71591386

[1,3-bis[(2,4,6-trimethylphenyl)methyl]-2h-benzimidazol-2-yl]-chloro-silver

Structural Information

Molecular Formula
C27H32N2
SMILES
CC1=CC(=C(C(=C1)C)CN2CN(C3=CC=CC=C32)CC4=C(C=C(C=C4C)C)C)C
InChI
InChI=1S/C27H32N2/c1-18-11-20(3)24(21(4)12-18)15-28-17-29(27-10-8-7-9-26(27)28)16-25-22(5)13-19(2)14-23(25)6/h7-14H,15-17H2,1-6H3
InChIKey
YEPFJLMYKSEZPV-UHFFFAOYSA-N
Compound name
1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25656 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26384 201.8
[M+Na]+ 407.24578 211.5
[M-H]- 383.24928 210.4
[M+NH4]+ 402.29038 214.6
[M+K]+ 423.21972 203.2
[M+H-H2O]+ 367.25382 191.3
[M+HCOO]- 429.25476 219.1
[M+CH3COO]- 443.27041 211.6
[M+Na-2H]- 405.23123 198.1
[M]+ 384.25601 204.7
[M]- 384.25711 204.7
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.