CID 14014894

10-(2-(1-pyrrolidinyl)ethyl)-9(10h)-acridinone (4,5-dihydro-2-thiazolyl)hydrazone

Structural Information

Molecular Formula
C22H25N5S
SMILES
C1CCN(C1)CCN2C3=CC=CC=C3C(=NNC4=NCCS4)C5=CC=CC=C52
InChI
InChI=1S/C22H25N5S/c1-3-9-19-17(7-1)21(24-25-22-23-11-16-28-22)18-8-2-4-10-20(18)27(19)15-14-26-12-5-6-13-26/h1-4,7-10H,5-6,11-16H2,(H,23,25)
InChIKey
XDXXFBGEMUNFRC-UHFFFAOYSA-N
Compound name
N-[[10-(2-pyrrolidin-1-ylethyl)acridin-9-ylidene]amino]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

391.18307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19035 187.8
[M+Na]+ 414.17229 195.8
[M-H]- 390.17579 196.9
[M+NH4]+ 409.21689 201.6
[M+K]+ 430.14623 188.6
[M+H-H2O]+ 374.18033 178.0
[M+HCOO]- 436.18127 204.6
[M+CH3COO]- 450.19692 197.5
[M+Na-2H]- 412.15774 189.6
[M]+ 391.18252 188.9
[M]- 391.18362 188.9
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