CID 63800

Qz-80

Structural Information

Molecular Formula
C18H24BrN3O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCCNC3CCCCC3
InChI
InChI=1S/C18H24BrN3O/c1-13-21-17-9-8-14(19)12-16(17)18(23)22(13)11-5-10-20-15-6-3-2-4-7-15/h8-9,12,15,20H,2-7,10-11H2,1H3
InChIKey
BTMZNASZEIEGPD-UHFFFAOYSA-N
Compound name
6-bromo-3-[3-(cyclohexylamino)propyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.11026 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11754 182.4
[M+Na]+ 400.09948 190.9
[M-H]- 376.10298 188.6
[M+NH4]+ 395.14408 196.3
[M+K]+ 416.07342 177.6
[M+H-H2O]+ 360.10752 178.9
[M+HCOO]- 422.10846 197.2
[M+CH3COO]- 436.12411 216.9
[M+Na-2H]- 398.08493 186.7
[M]+ 377.10971 198.5
[M]- 377.11081 198.5
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.