CID 16095202

Schembl13138531

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC3=C2C=CO3)Cl)C
InChI
InChI=1S/C18H17ClN2O2/c1-12(2)6-9-23-17-11-13(3-4-15(17)19)21-18-14-7-10-22-16(14)5-8-20-18/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKey
PTMZHFWCJISVGY-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]furo[3,2-c]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.09787 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10515 177.3
[M+Na]+ 351.08709 187.2
[M-H]- 327.09059 184.7
[M+NH4]+ 346.13169 192.3
[M+K]+ 367.06103 181.8
[M+H-H2O]+ 311.09513 169.4
[M+HCOO]- 373.09607 196.0
[M+CH3COO]- 387.11172 189.2
[M+Na-2H]- 349.07254 181.6
[M]+ 328.09732 184.0
[M]- 328.09842 184.0
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

patents stripe