CID 138466007

2299226-01-8

Structural Information

Molecular Formula
C24H29N7O
SMILES
CCN1C=CC(=N1)CN2C3=C(C=C(C=C3)C(=O)NC)N=C2C4=CN=C(C=C4)N(CC)CC
InChI
InChI=1S/C24H29N7O/c1-5-29(6-2)22-11-9-18(15-26-22)23-27-20-14-17(24(32)25-4)8-10-21(20)31(23)16-19-12-13-30(7-3)28-19/h8-15H,5-7,16H2,1-4H3,(H,25,32)
InChIKey
LYVJDLHFTGYNAV-UHFFFAOYSA-N
Compound name
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

431.24335 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.25063 206.9
[M+Na]+ 454.23257 214.8
[M-H]- 430.23607 214.1
[M+NH4]+ 449.27717 214.7
[M+K]+ 470.20651 208.7
[M+H-H2O]+ 414.24061 194.6
[M+HCOO]- 476.24155 227.0
[M+CH3COO]- 490.25720 215.4
[M+Na-2H]- 452.21802 206.4
[M]+ 431.24280 213.0
[M]- 431.24390 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe