CID 9576654

63937-24-6

Structural Information

Molecular Formula
C17H19ClN6S
SMILES
CCCN=C(N)/N=C(\N)/NN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN6S/c1-2-9-21-16(19)22-17(20)23-24-12-5-3-4-6-14(12)25-15-8-7-11(18)10-13(15)24/h3-8,10H,2,9H2,1H3,(H5,19,20,21,22,23)
InChIKey
BCGDKIZNJMTCAR-UHFFFAOYSA-N
Compound name
(1E)-1-[amino-[(2-chlorophenothiazin-10-yl)amino]methylidene]-2-propylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11531 180.9
[M+Na]+ 397.09725 187.1
[M-H]- 373.10075 185.6
[M+NH4]+ 392.14185 194.7
[M+K]+ 413.07119 180.9
[M+H-H2O]+ 357.10529 173.2
[M+HCOO]- 419.10623 195.1
[M+CH3COO]- 433.12188 189.9
[M+Na-2H]- 395.08270 185.9
[M]+ 374.10748 181.7
[M]- 374.10858 181.7
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.