CID 477241

Lnibmtzlcyihep-uhfffaoysa-n

Structural Information

Molecular Formula
C22H33N7
SMILES
CCCCC1=CC2=C(C=C1)N=C(N2)NC3=NC(=CC(=N3)NCCN(CC)CC)C
InChI
InChI=1S/C22H33N7/c1-5-8-9-17-10-11-18-19(15-17)26-22(25-18)28-21-24-16(4)14-20(27-21)23-12-13-29(6-2)7-3/h10-11,14-15H,5-9,12-13H2,1-4H3,(H3,23,24,25,26,27,28)
InChIKey
LNIBMTZLCYIHEP-UHFFFAOYSA-N
Compound name
2-N-(6-butyl-1H-benzimidazol-2-yl)-4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.27975 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28703 199.3
[M+Na]+ 418.26897 205.3
[M-H]- 394.27247 201.9
[M+NH4]+ 413.31357 207.5
[M+K]+ 434.24291 198.6
[M+H-H2O]+ 378.27701 187.5
[M+HCOO]- 440.27795 219.7
[M+CH3COO]- 454.29360 234.2
[M+Na-2H]- 416.25442 202.7
[M]+ 395.27920 203.1
[M]- 395.28030 203.1
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.