CID 9589171

Brn 3633432

Structural Information

Molecular Formula
C22H24N6S2
SMILES
C=CCNC(=S)N/N=C(/C(=N/NC(=S)NCC=C)/C1=CC=CC=C1)\C2=CC=CC=C2
InChI
InChI=1S/C22H24N6S2/c1-3-15-23-21(29)27-25-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)26-28-22(30)24-16-4-2/h3-14H,1-2,15-16H2,(H2,23,27,29)(H2,24,28,30)/b25-19+,26-20+
InChIKey
OLNSXIFKTZMZOQ-FQHZWJPGSA-N
Compound name
1-[(E)-[(2E)-1,2-diphenyl-2-(prop-2-enylcarbamothioylhydrazinylidene)ethylidene]amino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1504 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15768 198.5
[M+Na]+ 459.13962 203.3
[M+NH4]+ 454.18422 203.5
[M+K]+ 475.11356 193.3
[M-H]- 435.14312 204.0
[M+Na-2H]- 457.12507 205.2
[M]+ 436.14985 200.9
[M]- 436.15095 200.9
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.