CID 9579219

5-chloro-n-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]pentanamidine

Structural Information

Molecular Formula
C18H20ClN5S
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)/N=C(/CCCCCl)\N
InChI
InChI=1S/C18H20ClN5S/c19-11-4-3-10-16(20)22-18-24-23-17(25-18)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H,21,23)(H2,20,22,24)
InChIKey
DJROCEYNYPBUNE-UHFFFAOYSA-N
Compound name
5-chloro-N'-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]pentanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1128 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12008 184.2
[M+Na]+ 396.10202 192.4
[M-H]- 372.10552 190.0
[M+NH4]+ 391.14662 197.6
[M+K]+ 412.07596 184.6
[M+H-H2O]+ 356.11006 175.2
[M+HCOO]- 418.11100 200.1
[M+CH3COO]- 432.12665 194.1
[M+Na-2H]- 394.08747 187.6
[M]+ 373.11225 189.5
[M]- 373.11335 189.5
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.