CID 9578471

Brn 1033390

Structural Information

Molecular Formula
C14H16N4O3S2
SMILES
CC1CN(CC(O1)C)/N=C/C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C14H16N4O3S2/c1-9-6-17(7-10(2)21-9)15-5-11-8-22-14(16-11)12-3-4-13(23-12)18(19)20/h3-5,8-10H,6-7H2,1-2H3/b15-5+
InChIKey
QQJXJNWPZOUPMX-PJQLUOCWSA-N
Compound name
(E)-N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07366 178.7
[M+Na]+ 375.05560 186.6
[M-H]- 351.05910 188.8
[M+NH4]+ 370.10020 191.9
[M+K]+ 391.02954 178.7
[M+H-H2O]+ 335.06364 175.8
[M+HCOO]- 397.06458 193.4
[M+CH3COO]- 411.08023 206.2
[M+Na-2H]- 373.04105 178.9
[M]+ 352.06583 179.8
[M]- 352.06693 179.8
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

No patent data available for this compound.