CID 1189450

Mls000112735

Structural Information

Molecular Formula
C18H17BrN4O
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)Br
InChI
InChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKey
RMKXGPDFRHFPOK-UHFFFAOYSA-N
Compound name
6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

384.05856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06584 182.3
[M+Na]+ 407.04778 190.8
[M-H]- 383.05128 190.7
[M+NH4]+ 402.09238 192.5
[M+K]+ 423.02172 178.9
[M+H-H2O]+ 367.05582 177.6
[M+HCOO]- 429.05676 196.0
[M+CH3COO]- 443.07241 192.6
[M+Na-2H]- 405.03323 189.9
[M]+ 384.05801 197.1
[M]- 384.05911 197.1
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

patents stripe