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 188.9
[M+Na]+ 405.07250 201.9
[M-H]- 381.07600 196.0
[M+NH4]+ 400.11710 197.4
[M+K]+ 421.04644 195.5
[M+H-H2O]+ 365.08054 177.1
[M+HCOO]- 427.08148 203.9
[M+CH3COO]- 441.09713 199.7
[M+Na-2H]- 403.05795 193.2
[M]+ 382.08273 197.7
[M]- 382.08383 197.7
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.