CID 63649

91045-25-9

Structural Information

Molecular Formula
C34H30IN5O
SMILES
CN1CCC(CC1)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=NC6=C(C5=O)C=C(C=C6)I)C7=CC=CC=C7
InChI
InChI=1S/C34H30IN5O/c1-38-19-17-23(18-20-38)22-39-31-14-8-6-12-29(31)37-33(39)26-11-5-7-13-30(26)40-32(24-9-3-2-4-10-24)36-28-16-15-25(35)21-27(28)34(40)41/h2-16,21,23H,17-20,22H2,1H3
InChIKey
KGEHTKNSSKCVES-UHFFFAOYSA-N
Compound name
6-iodo-3-[2-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]phenyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.14954 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.15682 249.8
[M+Na]+ 674.13876 262.3
[M+NH4]+ 669.18336 252.7
[M+K]+ 690.11270 254.9
[M-H]- 650.14226 253.7
[M+Na-2H]- 672.12421 248.3
[M]+ 651.14899 252.1
[M]- 651.15009 252.1
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.