CID 3043381

2,4-pyrimidinediamine, n(sup 4)-(2-(dimethylamino)ethyl)-n(sup 2),n(sup 2)-dimethyl-5-(methylthio)-6-(3-pyridinylmethoxy)-, dihydrobromide

Structural Information

Molecular Formula
C17H26N6OS
SMILES
CN(C)CCNC1=C(C(=NC(=N1)N(C)C)OCC2=CN=CC=C2)SC
InChI
InChI=1S/C17H26N6OS/c1-22(2)10-9-19-15-14(25-5)16(21-17(20-15)23(3)4)24-12-13-7-6-8-18-11-13/h6-8,11H,9-10,12H2,1-5H3,(H,19,20,21)
InChIKey
SBGQJXNQTHGBFQ-UHFFFAOYSA-N
Compound name
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanyl-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19615 185.3
[M+Na]+ 385.17809 196.4
[M+NH4]+ 380.22269 191.5
[M+K]+ 401.15203 188.3
[M-H]- 361.18159 189.9
[M+Na-2H]- 383.16354 192.8
[M]+ 362.18832 188.5
[M]- 362.18942 188.5
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.

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No patent data available for this compound.