CID 3056985

73927-25-0

Structural Information

Molecular Formula
C24H30N4O2S
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)CCOCCO
InChI
InChI=1S/C24H30N4O2S/c25-19-20-6-7-24-22(18-20)28(21-4-1-2-5-23(21)31-24)9-3-8-26-10-12-27(13-11-26)14-16-30-17-15-29/h1-2,4-7,18,29H,3,8-17H2
InChIKey
LYCHOAYKKKAUHD-UHFFFAOYSA-N
Compound name
10-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.20895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21623 205.1
[M+Na]+ 461.19817 216.9
[M+NH4]+ 456.24277 208.7
[M+K]+ 477.17211 203.2
[M-H]- 437.20167 200.9
[M+Na-2H]- 459.18362 206.3
[M]+ 438.20840 205.2
[M]- 438.20950 205.2
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.