CID 3043350

2-n-methyl-n-phenylamino-4-(2'-diethylamino)ethylamino-5-methylthio-6-chloropyrimidine 2hbr

Structural Information

Molecular Formula
C18H26ClN5S
SMILES
CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)Cl)SC
InChI
InChI=1S/C18H26ClN5S/c1-5-24(6-2)13-12-20-17-15(25-4)16(19)21-18(22-17)23(3)14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3,(H,20,21,22)
InChIKey
VYKQZLOOPQRVBY-UHFFFAOYSA-N
Compound name
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.15976 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16704 189.8
[M+Na]+ 402.14898 195.9
[M-H]- 378.15248 196.1
[M+NH4]+ 397.19358 201.1
[M+K]+ 418.12292 190.5
[M+H-H2O]+ 362.15702 179.7
[M+HCOO]- 424.15796 204.3
[M+CH3COO]- 438.17361 231.2
[M+Na-2H]- 400.13443 190.8
[M]+ 379.15921 197.0
[M]- 379.16031 197.0
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.

Patent stripe

No patent data available for this compound.