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 202.2
[M+Na]+ 459.13962 202.0
[M-H]- 435.14312 208.2
[M+NH4]+ 454.18422 210.5
[M+K]+ 475.11356 193.7
[M+H-H2O]+ 419.14766 191.1
[M+HCOO]- 481.14860 217.9
[M+CH3COO]- 495.16425 242.9
[M+Na-2H]- 457.12507 203.3
[M]+ 436.14985 199.1
[M]- 436.15095 199.1
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.