CID 477197

N2-(5-chloro-1h-benzimidazol-2-yl)-n4-(1-ethyl-3-piperidyl)-6-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H24ClN7
SMILES
CCN1CCCC(C1)NC2=NC(=NC(=C2)C)NC3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C19H24ClN7/c1-3-27-8-4-5-14(11-27)22-17-9-12(2)21-18(25-17)26-19-23-15-7-6-13(20)10-16(15)24-19/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKey
FSLUUPMEHISUQY-UHFFFAOYSA-N
Compound name
2-N-(6-chloro-1H-benzimidazol-2-yl)-4-N-(1-ethylpiperidin-3-yl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17816 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18544 192.6
[M+Na]+ 408.16738 200.5
[M-H]- 384.17088 195.2
[M+NH4]+ 403.21198 199.7
[M+K]+ 424.14132 191.3
[M+H-H2O]+ 368.17542 180.2
[M+HCOO]- 430.17636 203.1
[M+CH3COO]- 444.19201 199.8
[M+Na-2H]- 406.15283 195.1
[M]+ 385.17761 191.1
[M]- 385.17871 191.1
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.