CID 3046369

62031-73-6

Structural Information

Molecular Formula
C24H24N4S
SMILES
C1=CC=C2C(=C1)N=CN2CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C24H24N4S/c1-2-9-20-19(8-1)26-18-27(20)17-15-25-14-7-16-28-21-10-3-5-12-23(21)29-24-13-6-4-11-22(24)28/h1-6,8-13,18,25H,7,14-17H2
InChIKey
IOYXESKZORVKOR-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethyl]-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.17218 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17946 194.0
[M+Na]+ 423.16140 210.6
[M+NH4]+ 418.20600 203.8
[M+K]+ 439.13534 199.0
[M-H]- 399.16490 200.4
[M+Na-2H]- 421.14685 202.5
[M]+ 400.17163 198.9
[M]- 400.17273 198.9
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

No patent data available for this compound.