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 191.5
[M+Na]+ 423.16140 200.3
[M-H]- 399.16490 196.4
[M+NH4]+ 418.20600 203.5
[M+K]+ 439.13534 191.3
[M+H-H2O]+ 383.16944 181.1
[M+HCOO]- 445.17038 204.9
[M+CH3COO]- 459.18603 200.2
[M+Na-2H]- 421.14685 196.8
[M]+ 400.17163 195.4
[M]- 400.17273 195.4
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.