CID 362298

Nsc625909

Structural Information

Molecular Formula
C19H18ClN5O
SMILES
C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClN5O/c20-13-6-8-14(9-7-13)23-16(26)11-10-15-17(12-4-2-1-3-5-12)18(21)25-19(22)24-15/h1-9H,10-11H2,(H,23,26)(H4,21,22,24,25)
InChIKey
MDUQLWNJNVLIGH-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(2,6-diamino-5-phenylpyrimidin-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.12 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12728 187.6
[M+Na]+ 390.10922 195.2
[M-H]- 366.11272 194.0
[M+NH4]+ 385.15382 196.6
[M+K]+ 406.08316 187.4
[M+H-H2O]+ 350.11726 177.1
[M+HCOO]- 412.11820 205.5
[M+CH3COO]- 426.13385 196.6
[M+Na-2H]- 388.09467 190.7
[M]+ 367.11945 186.9
[M]- 367.12055 186.9
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.