CID 135401968

Kys-05050

Structural Information

Molecular Formula
C34H37N5O
SMILES
C1=CC=C(C=C1)CNC(=O)CC2C3=CC=CC=C3NC(=NCCCCCN)N2C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H37N5O/c35-22-10-3-11-23-36-34-38-31-17-9-8-16-30(31)32(24-33(40)37-25-26-12-4-1-5-13-26)39(34)29-20-18-28(19-21-29)27-14-6-2-7-15-27/h1-2,4-9,12-21,32H,3,10-11,22-25,35H2,(H,36,38)(H,37,40)
InChIKey
PHOBNPDRNIKURV-UHFFFAOYSA-N
Compound name
2-[2-(5-aminopentylimino)-3-(4-phenylphenyl)-1,4-dihydroquinazolin-4-yl]-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

531.2998 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.30708 238.2
[M+Na]+ 554.28902 251.9
[M+NH4]+ 549.33362 244.1
[M+K]+ 570.26296 240.4
[M-H]- 530.29252 247.8
[M+Na-2H]- 552.27447 247.7
[M]+ 531.29925 242.8
[M]- 531.30035 242.8
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.