CID 11290583

Oxazyme

Structural Information

Molecular Formula
C14H15BrN4O
SMILES
CC1=C2C(=NN1)C3=C(C=CC(=C3)Br)N(C2=O)CCCN
InChI
InChI=1S/C14H15BrN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKey
LLKFNPUXQZHIAE-UHFFFAOYSA-N
Compound name
5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

129
References

2888
Patents

334.0429 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05018 168.6
[M+Na]+ 357.03212 183.3
[M-H]- 333.03562 172.4
[M+NH4]+ 352.07672 185.9
[M+K]+ 373.00606 169.1
[M+H-H2O]+ 317.04016 166.9
[M+HCOO]- 379.04110 186.3
[M+CH3COO]- 393.05675 181.7
[M+Na-2H]- 355.01757 174.7
[M]+ 334.04235 189.1
[M]- 334.04345 189.1
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