CID 135398495

At9283

Structural Information

Molecular Formula
C19H23N7O2
SMILES
C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5
InChI
InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
InChIKey
LOLPPWBBNUVNQZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

58
References

305
Patents

381.1913 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19858 188.3
[M+Na]+ 404.18052 195.3
[M-H]- 380.18402 194.3
[M+NH4]+ 399.22512 189.9
[M+K]+ 420.15446 187.5
[M+H-H2O]+ 364.18856 178.6
[M+HCOO]- 426.18950 202.7
[M+CH3COO]- 440.20515 195.1
[M+Na-2H]- 402.16597 189.1
[M]+ 381.19075 186.5
[M]- 381.19185 186.5
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