CID 373850

Nsc650813

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CC(C)C(C(=O)NN)SC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N4OS/c1-13(2)18(19(25)24-21)26-20-22-16(14-9-5-3-6-10-14)17(23-20)15-11-7-4-8-12-15/h3-13,18H,21H2,1-2H3,(H,22,23)(H,24,25)
InChIKey
IWTVSCLZMFXYHC-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methylbutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15143 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 186.1
[M+Na]+ 389.14065 190.8
[M-H]- 365.14415 191.6
[M+NH4]+ 384.18525 196.2
[M+K]+ 405.11459 184.4
[M+H-H2O]+ 349.14869 176.8
[M+HCOO]- 411.14963 200.5
[M+CH3COO]- 425.16528 194.3
[M+Na-2H]- 387.12610 184.0
[M]+ 366.15088 184.6
[M]- 366.15198 184.6
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.