CID 1990430

578718-68-0

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3
InChI
InChI=1S/C19H21N5O2S/c1-4-11-24-18(16-6-5-12-26-16)21-22-19(24)27-13-17(25)20-14-7-9-15(10-8-14)23(2)3/h4-10,12H,1,11,13H2,2-3H3,(H,20,25)
InChIKey
VQFLWKUEEWABTB-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 192.0
[M+Na]+ 406.13082 200.6
[M-H]- 382.13432 201.6
[M+NH4]+ 401.17542 202.8
[M+K]+ 422.10476 196.8
[M+H-H2O]+ 366.13886 182.5
[M+HCOO]- 428.13980 211.8
[M+CH3COO]- 442.15545 223.4
[M+Na-2H]- 404.11627 190.6
[M]+ 383.14105 199.6
[M]- 383.14215 199.6
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.