CID 166177210

Jbi-802

Structural Information

Molecular Formula
C21H22N4O2
SMILES
C1[C@H]([C@@H]1NCC2=CN(N=C2)CC3=CC=C(C=C3)C(=O)NO)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O2/c26-21(24-27)18-8-6-15(7-9-18)13-25-14-16(12-23-25)11-22-20-10-19(20)17-4-2-1-3-5-17/h1-9,12,14,19-20,22,27H,10-11,13H2,(H,24,26)/t19-,20+/m0/s1
InChIKey
VLTIYMVMEIUCSB-VQTJNVASSA-N
Compound name
N-hydroxy-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyrazol-1-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.181576 180.5
[M+Na]+ 385.163518 187.5
[M-H]- 361.167024 189.8
[M+NH4]+ 380.208123 186.0
[M+K]+ 401.137458 180.2
[M+H-H2O]+ 345.171560 171.0
[M+HCOO]- 407.172501 203.1
[M+CH3COO]- 421.188151 189.7
[M+Na-2H]- 383.148966 183.1
[M]+ 362.17375142 181.8
[M]- 362.17484858 181.8
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

patents stripe