CID 458674

N-[4-(hydrazinecarbonyl)-2-(3-phenoxypropyl)-3-thienyl]benzamide

Structural Information

Molecular Formula
C21H21N3O3S
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(SC=C2C(=O)NN)CCCOC3=CC=CC=C3
InChI
InChI=1S/C21H21N3O3S/c22-24-21(26)17-14-28-18(12-7-13-27-16-10-5-2-6-11-16)19(17)23-20(25)15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13,22H2,(H,23,25)(H,24,26)
InChIKey
QQTLEPWZKCFKKO-UHFFFAOYSA-N
Compound name
N-[4-(hydrazinecarbonyl)-2-(3-phenoxypropyl)thiophen-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.13037 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13765 192.5
[M+Na]+ 418.11959 196.3
[M-H]- 394.12309 201.4
[M+NH4]+ 413.16419 204.0
[M+K]+ 434.09353 191.0
[M+H-H2O]+ 378.12763 183.1
[M+HCOO]- 440.12857 212.9
[M+CH3COO]- 454.14422 224.2
[M+Na-2H]- 416.10504 192.1
[M]+ 395.12982 193.7
[M]- 395.13092 193.7
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.