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

15
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 183.5
[M+Na]+ 389.15188 187.3
[M-H]- 365.15538 187.9
[M+NH4]+ 384.19648 191.1
[M+K]+ 405.12582 180.1
[M+H-H2O]+ 349.15992 171.4
[M+HCOO]- 411.16086 193.0
[M+CH3COO]- 425.17651 190.2
[M+Na-2H]- 387.13733 187.1
[M]+ 366.16211 176.8
[M]- 366.16321 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