CID 135409006

Nsc653011

Structural Information

Molecular Formula
C14H12Cl2N4O2
SMILES
CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12Cl2N4O2/c1-7-6-10(21)18-14(17-7)19-20-11(12(22)13(20)16)8-2-4-9(15)5-3-8/h2-6,11,13H,1H3,(H2,17,18,19,21)
InChIKey
UKZGBTCOHPEUIE-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-(4-chlorophenyl)-3-oxoazetidin-1-yl]amino]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.03372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04100 168.9
[M+Na]+ 361.02294 179.3
[M-H]- 337.02644 172.7
[M+NH4]+ 356.06754 173.2
[M+K]+ 376.99688 174.7
[M+H-H2O]+ 321.03098 154.6
[M+HCOO]- 383.03192 178.0
[M+CH3COO]- 397.04757 211.2
[M+Na-2H]- 359.00839 171.0
[M]+ 338.03317 179.2
[M]- 338.03427 179.2
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.