CID 145766632

Art0380

Structural Information

Molecular Formula
C18H24N6O2S
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)N=[S@](=O)(C)C3CC3)C4=CC(=NC=C4)N
InChI
InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27+/m1/s1
InChIKey
JHPDHYAMSPMBIF-MUDIAHQHSA-N
Compound name
4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.16815 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17543 192.8
[M+Na]+ 411.15737 206.8
[M+NH4]+ 406.20197 199.1
[M+K]+ 427.13131 200.5
[M-H]- 387.16087 206.1
[M+Na-2H]- 409.14282 202.7
[M]+ 388.16760 200.1
[M]- 388.16870 200.1
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

patents stripe