CID 3043432

2,4-pyrimidinediamine, 6-chloro-n(sup 4)-(2-(diethylamino)ethyl)-5-(methylthio)-n(sup 2), n(sup 2)-dipropyl-, dihydrobromide

Structural Information

Molecular Formula
C17H32ClN5S
SMILES
CCCN(CCC)C1=NC(=C(C(=N1)Cl)SC)NCCN(CC)CC
InChI
InChI=1S/C17H32ClN5S/c1-6-11-23(12-7-2)17-20-15(18)14(24-5)16(21-17)19-10-13-22(8-3)9-4/h6-13H2,1-5H3,(H,19,20,21)
InChIKey
NDXJSOKDMFIHJZ-UHFFFAOYSA-N
Compound name
6-chloro-4-N-[2-(diethylamino)ethyl]-5-methylsulfanyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.2067 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21398 191.5
[M+Na]+ 396.19592 196.5
[M-H]- 372.19942 194.3
[M+NH4]+ 391.24052 203.5
[M+K]+ 412.16986 192.0
[M+H-H2O]+ 356.20396 182.2
[M+HCOO]- 418.20490 204.6
[M+CH3COO]- 432.22055 232.7
[M+Na-2H]- 394.18137 190.0
[M]+ 373.20615 200.5
[M]- 373.20725 200.5
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.