CID 63594

77300-92-6

Structural Information

Molecular Formula
C14H18BrN3O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCNC(C)C
InChI
InChI=1S/C14H18BrN3O/c1-9(2)16-6-7-18-10(3)17-13-5-4-11(15)8-12(13)14(18)19/h4-5,8-9,16H,6-7H2,1-3H3
InChIKey
PPXMOEGMTAKLKB-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3-[2-(propan-2-ylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07060 165.2
[M+Na]+ 346.05254 177.2
[M-H]- 322.05604 170.0
[M+NH4]+ 341.09714 182.1
[M+K]+ 362.02648 164.7
[M+H-H2O]+ 306.06058 163.1
[M+HCOO]- 368.06152 183.3
[M+CH3COO]- 382.07717 209.4
[M+Na-2H]- 344.03799 171.3
[M]+ 323.06277 186.0
[M]- 323.06387 186.0
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.