CID 6334805

Nsc641855

Structural Information

Molecular Formula
C16H22N5OS
SMILES
CC1=C(SC(=N1)C2=CN=CC=C2)/C(=N/NC(=O)C[N+](C)(C)C)/C
InChI
InChI=1S/C16H21N5OS/c1-11-15(12(2)19-20-14(22)10-21(3,4)5)23-16(18-11)13-7-6-8-17-9-13/h6-9H,10H2,1-5H3/p+1/b19-12+
InChIKey
YPGLNFFYTIHCTP-XDHOZWIPSA-O
Compound name
trimethyl-[2-[(2E)-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]-2-oxoethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1545 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16178 175.4
[M+Na]+ 355.14372 181.4
[M-H]- 331.14722 182.8
[M+NH4]+ 350.18832 189.4
[M+K]+ 371.11766 172.8
[M+H-H2O]+ 315.15176 168.9
[M+HCOO]- 377.15270 194.6
[M+CH3COO]- 391.16835 212.7
[M+Na-2H]- 353.12917 180.0
[M]+ 332.15395 177.6
[M]- 332.15505 177.6
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.