CID 63901

77300-95-9

Structural Information

Molecular Formula
C14H17Br2N3O
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCNC(C)C
InChI
InChI=1S/C14H17Br2N3O/c1-8(2)17-4-5-19-9(3)18-13-11(14(19)20)6-10(15)7-12(13)16/h6-8,17H,4-5H2,1-3H3
InChIKey
OYGNEPKLCOQMHA-UHFFFAOYSA-N
Compound name
6,8-dibromo-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

400.97385 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.98113 161.2
[M+Na]+ 423.96307 172.0
[M-H]- 399.96657 166.6
[M+NH4]+ 419.00767 176.0
[M+K]+ 439.93701 155.6
[M+H-H2O]+ 383.97111 167.3
[M+HCOO]- 445.97205 174.4
[M+CH3COO]- 459.98770 223.0
[M+Na-2H]- 421.94852 166.5
[M]+ 400.97330 197.0
[M]- 400.97440 197.0
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.