CID 300126

Nsc174237

Structural Information

Molecular Formula
C20H28ClN7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)Cl)NCCN(C(C)C)C(C)C
InChI
InChI=1S/C20H28ClN7/c1-12(2)28(13(3)4)9-8-22-18-10-14(5)23-19(26-18)27-20-24-16-7-6-15(21)11-17(16)25-20/h6-7,10-13H,8-9H2,1-5H3,(H3,22,23,24,25,26,27)
InChIKey
PJFKBDIVMUNLGV-UHFFFAOYSA-N
Compound name
2-N-(6-chloro-1H-benzimidazol-2-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.20947 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21675 198.1
[M+Na]+ 424.19869 205.0
[M-H]- 400.20219 201.1
[M+NH4]+ 419.24329 206.8
[M+K]+ 440.17263 198.6
[M+H-H2O]+ 384.20673 187.3
[M+HCOO]- 446.20767 212.6
[M+CH3COO]- 460.22332 233.6
[M+Na-2H]- 422.18414 199.8
[M]+ 401.20892 202.4
[M]- 401.21002 202.4
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.