CID 3007952

2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-1h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C23H18N4O2
SMILES
C1C=C(C=CC1C2=NC3=C(N2)C=C(C=C3)C(=N)N)C4=CC(=O)C5=CC=CC=C5O4
InChI
InChI=1S/C23H18N4O2/c24-22(25)15-9-10-17-18(11-15)27-23(26-17)14-7-5-13(6-8-14)21-12-19(28)16-3-1-2-4-20(16)29-21/h1-7,9-12,14H,8H2,(H3,24,25)(H,26,27)
InChIKey
IPWWJYDMHSHNQL-UHFFFAOYSA-N
Compound name
2-[4-(4-oxochromen-2-yl)cyclohexa-2,4-dien-1-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.14297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15025 189.6
[M+Na]+ 405.13219 198.5
[M-H]- 381.13569 198.5
[M+NH4]+ 400.17679 199.1
[M+K]+ 421.10613 191.3
[M+H-H2O]+ 365.14023 179.3
[M+HCOO]- 427.14117 208.2
[M+CH3COO]- 441.15682 199.1
[M+Na-2H]- 403.11764 194.0
[M]+ 382.14242 188.0
[M]- 382.14352 188.0
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.