CID 63958

Brn 5642861

Structural Information

Molecular Formula
C19H15ClN4O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=NN=C(O3)COC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4O3/c1-12-21-16-5-3-2-4-15(16)19(25)24(12)10-17-22-23-18(27-17)11-26-14-8-6-13(20)7-9-14/h2-9H,10-11H2,1H3
InChIKey
WDIZYDSYVMOJEQ-UHFFFAOYSA-N
Compound name
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.08328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09056 187.8
[M+Na]+ 405.07250 207.2
[M+NH4]+ 400.11710 194.5
[M+K]+ 421.04644 200.2
[M-H]- 381.07600 193.7
[M+Na-2H]- 403.05795 197.3
[M]+ 382.08273 192.8
[M]- 382.08383 192.8
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.