CID 9571338

Nsc646367

Structural Information

Molecular Formula
C17H23N5O2S
SMILES
CC1=C(C(=CC=C1)NC(=O)/C(=N\NC(C)(C)C)/C2C(=O)NC(=S)N2)C
InChI
InChI=1S/C17H23N5O2S/c1-9-7-6-8-11(10(9)2)18-15(24)13(21-22-17(3,4)5)12-14(23)20-16(25)19-12/h6-8,12,22H,1-5H3,(H,18,24)(H2,19,20,23,25)/b21-13-
InChIKey
QOJBXSBNNISEPK-BKUYFWCQSA-N
Compound name
(2Z)-2-(tert-butylhydrazinylidene)-N-(2,3-dimethylphenyl)-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15726 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16454 187.9
[M+Na]+ 384.14648 192.5
[M-H]- 360.14998 190.7
[M+NH4]+ 379.19108 198.8
[M+K]+ 400.12042 186.9
[M+H-H2O]+ 344.15452 180.1
[M+HCOO]- 406.15546 200.4
[M+CH3COO]- 420.17111 219.5
[M+Na-2H]- 382.13193 185.2
[M]+ 361.15671 185.0
[M]- 361.15781 185.0
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.