CID 14014893

Ro-15-8843

Structural Information

Molecular Formula
C21H25N5S
SMILES
CN(C)CCCN1C2=CC=CC=C2C(=NNC3=NCCS3)C4=CC=CC=C41
InChI
InChI=1S/C21H25N5S/c1-25(2)13-7-14-26-18-10-5-3-8-16(18)20(17-9-4-6-11-19(17)26)23-24-21-22-12-15-27-21/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,24)
InChIKey
CGVCBFQUMOLHQF-UHFFFAOYSA-N
Compound name
N-[[10-[3-(dimethylamino)propyl]acridin-9-ylidene]amino]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

379.18307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 187.0
[M+Na]+ 402.17229 194.9
[M-H]- 378.17579 195.4
[M+NH4]+ 397.21689 201.3
[M+K]+ 418.14623 188.8
[M+H-H2O]+ 362.18033 177.0
[M+HCOO]- 424.18127 207.0
[M+CH3COO]- 438.19692 197.3
[M+Na-2H]- 400.15774 192.3
[M]+ 379.18252 191.7
[M]- 379.18362 191.7
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

patents stripe