CID 135409011

Nsc653016

Structural Information

Molecular Formula
C18H15ClN4O3
SMILES
CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C18H15ClN4O3/c1-9-8-13(25)21-18(20-9)22-23-15(16(26)17(23)19)14-11-5-3-2-4-10(11)6-7-12(14)24/h2-8,15,17,24H,1H3,(H2,20,21,22,25)
InChIKey
LUMJNYMUQYSHKS-UHFFFAOYSA-N
Compound name
2-[[2-chloro-4-(2-hydroxynaphthalen-1-yl)-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

370.08328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09056 184.7
[M+Na]+ 393.07250 194.4
[M-H]- 369.07600 188.9
[M+NH4]+ 388.11710 187.2
[M+K]+ 409.04644 189.8
[M+H-H2O]+ 353.08054 169.1
[M+HCOO]- 415.08148 195.6
[M+CH3COO]- 429.09713 193.3
[M+Na-2H]- 391.05795 187.1
[M]+ 370.08273 194.3
[M]- 370.08383 194.3
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.