CID 154872503

2503205-68-1

Structural Information

Molecular Formula
C19H24BrN3O2
SMILES
CC1=C2C=CC(=CC2=NC(=N1)C3CCN(CC3)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C19H24BrN3O2/c1-12-15-6-5-14(20)11-16(15)22-17(21-12)13-7-9-23(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3
InChIKey
DRTMHQMMYMKKEQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1052 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11248 191.6
[M+Na]+ 428.09442 200.8
[M-H]- 404.09792 197.1
[M+NH4]+ 423.13902 203.7
[M+K]+ 444.06836 189.1
[M+H-H2O]+ 388.10246 188.8
[M+HCOO]- 450.10340 201.7
[M+CH3COO]- 464.11905 218.9
[M+Na-2H]- 426.07987 194.9
[M]+ 405.10465 209.3
[M]- 405.10575 209.3
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.