CID 447506

1o37

Structural Information

Molecular Formula
C22H21N5O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)CCN)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O
InChI
InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)
InChIKey
YYUZFCLHOQHMPT-UHFFFAOYSA-N
Compound name
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.17462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18190 187.2
[M+Na]+ 394.16384 194.8
[M-H]- 370.16734 193.2
[M+NH4]+ 389.20844 196.8
[M+K]+ 410.13778 186.2
[M+H-H2O]+ 354.17188 177.5
[M+HCOO]- 416.17282 207.7
[M+CH3COO]- 430.18847 195.9
[M+Na-2H]- 392.14929 189.6
[M]+ 371.17407 183.5
[M]- 371.17517 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.