CID 15961696

1,2,5-thiadiazole-3,4-diamine, n-(4-((4-((dimethylamino)methyl)-2-pyridinyl)oxy)-2-butenyl)-n'-methyl-, 1-oxide, (z)-

Structural Information

Molecular Formula
C15H22N6O2S
SMILES
CNC1=NS(=O)N=C1NC/C=C\COC2=NC=CC(=C2)CN(C)C
InChI
InChI=1S/C15H22N6O2S/c1-16-14-15(20-24(22)19-14)18-7-4-5-9-23-13-10-12(6-8-17-13)11-21(2)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,16,19)(H,18,20)/b5-4-
InChIKey
HOIQYEIZPSQCLO-PLNGDYQASA-N
Compound name
3-N-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1525 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15978 180.9
[M+Na]+ 373.14172 188.2
[M-H]- 349.14522 185.7
[M+NH4]+ 368.18632 192.6
[M+K]+ 389.11566 183.8
[M+H-H2O]+ 333.14976 170.8
[M+HCOO]- 395.15070 201.1
[M+CH3COO]- 409.16635 219.0
[M+Na-2H]- 371.12717 182.4
[M]+ 350.15195 186.3
[M]- 350.15305 186.3
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.