CID 9575012

178979-00-5

Structural Information

Molecular Formula
C16H22N4S
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2C)/C=N/N)C(C)C)C
InChI
InChI=1S/C16H22N4S/c1-10(2)15-16(20(5)14(19-15)9-18-17)21-13-7-11(3)6-12(4)8-13/h6-10H,17H2,1-5H3/b18-9+
InChIKey
DBAKFQDBAZTULW-GIJQJNRQSA-N
Compound name
(E)-[5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.15652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16380 173.1
[M+Na]+ 325.14574 182.6
[M-H]- 301.14924 179.2
[M+NH4]+ 320.19034 188.9
[M+K]+ 341.11968 177.4
[M+H-H2O]+ 285.15378 164.7
[M+HCOO]- 347.15472 191.8
[M+CH3COO]- 361.17037 213.8
[M+Na-2H]- 323.13119 170.3
[M]+ 302.15597 177.1
[M]- 302.15707 177.1
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