CID 91810660

Coti-2

Structural Information

Molecular Formula
C19H22N6S
SMILES
C1CC2=C(/C(=N/NC(=S)N3CCN(CC3)C4=CC=CC=N4)/C1)N=CC=C2
InChI
InChI=1S/C19H22N6S/c26-19(23-22-16-7-3-5-15-6-4-10-21-18(15)16)25-13-11-24(12-14-25)17-8-1-2-9-20-17/h1-2,4,6,8-10H,3,5,7,11-14H2,(H,23,26)/b22-16+
InChIKey
UTDAKQMBNSHJJB-CJLVFECKSA-N
Compound name
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

366.16266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16994 182.0
[M+Na]+ 389.15188 194.4
[M+NH4]+ 384.19648 189.6
[M+K]+ 405.12582 184.4
[M-H]- 365.15538 188.0
[M+Na-2H]- 387.13733 190.6
[M]+ 366.16211 185.7
[M]- 366.16321 185.7
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