CID 509902

Schembl7491289

Structural Information

Molecular Formula
C18H24IN5OS
SMILES
C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C18H24IN5OS/c19-14-9-7-13(8-10-14)16(25)22-18-24-23-17(26-18)21-12-4-11-20-15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-12H2,(H,21,23)(H,22,24,25)
InChIKey
MXQPPLRPIXCGBX-UHFFFAOYSA-N
Compound name
N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

485.07462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.08190 196.9
[M+Na]+ 508.06384 192.5
[M-H]- 484.06734 195.4
[M+NH4]+ 503.10844 202.3
[M+K]+ 524.03778 192.7
[M+H-H2O]+ 468.07188 183.0
[M+HCOO]- 530.07282 207.6
[M+CH3COO]- 544.08847 227.3
[M+Na-2H]- 506.04929 185.2
[M]+ 485.07407 191.0
[M]- 485.07517 191.0
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