CID 5277386

Ethyl n-[7-[2-[(e)-styryl]hydrazino]-2-thioxo-1,3-dihydrobenzimidazol-5-yl]carbamate

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NN/C=C/C3=CC=CC=C3)NC(=S)N2
InChI
InChI=1S/C18H19N5O2S/c1-2-25-18(24)20-13-10-14-16(22-17(26)21-14)15(11-13)23-19-9-8-12-6-4-3-5-7-12/h3-11,19,23H,2H2,1H3,(H,20,24)(H2,21,22,26)/b9-8+
InChIKey
YKUZYBCXNBNBAZ-CMDGGOBGSA-N
Compound name
ethyl N-[7-[2-[(E)-2-phenylethenyl]hydrazinyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12595 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 181.8
[M+Na]+ 392.11517 189.0
[M-H]- 368.11867 184.8
[M+NH4]+ 387.15977 192.7
[M+K]+ 408.08911 180.7
[M+H-H2O]+ 352.12321 173.4
[M+HCOO]- 414.12415 199.3
[M+CH3COO]- 428.13980 190.5
[M+Na-2H]- 390.10062 185.5
[M]+ 369.12540 182.2
[M]- 369.12650 182.2
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.