CID 3043354

6-chloro-n4-(2-(diethylamino)ethyl)-n2-methyl-n2-(phenylmethyl)-2,4-pyrimidinediamine hbr

Structural Information

Molecular Formula
C19H28ClN5S
SMILES
CCN(CC)CCNC1=C(C(=NC(=N1)N(C)CC2=CC=CC=C2)Cl)SC
InChI
InChI=1S/C19H28ClN5S/c1-5-25(6-2)13-12-21-18-16(26-4)17(20)22-19(23-18)24(3)14-15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,21,22,23)
InChIKey
ZWEZTCRORXPYTM-UHFFFAOYSA-N
Compound name
2-N-benzyl-6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.17538 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18266 194.9
[M+Na]+ 416.16460 207.2
[M+NH4]+ 411.20920 202.4
[M+K]+ 432.13854 196.7
[M-H]- 392.16810 200.7
[M+Na-2H]- 414.15005 202.7
[M]+ 393.17483 199.0
[M]- 393.17593 199.0
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.

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No patent data available for this compound.