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 194.0
[M+Na]+ 416.16460 199.7
[M-H]- 392.16810 200.1
[M+NH4]+ 411.20920 204.8
[M+K]+ 432.13854 194.1
[M+H-H2O]+ 376.17264 183.8
[M+HCOO]- 438.17358 208.2
[M+CH3COO]- 452.18923 234.1
[M+Na-2H]- 414.15005 194.6
[M]+ 393.17483 201.6
[M]- 393.17593 201.6
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.