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

89
Patents

366.16266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.169936 183.5
[M+Na]+ 389.151878 187.3
[M-H]- 365.155384 187.9
[M+NH4]+ 384.196483 191.1
[M+K]+ 405.125818 180.1
[M+H-H2O]+ 349.159920 171.4
[M+HCOO]- 411.160861 193.0
[M+CH3COO]- 425.176511 190.2
[M+Na-2H]- 387.137326 187.1
[M]+ 366.16211142 176.8
[M]- 366.16320858 176.8
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

patents stripe