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 200.3
[M+Na]+ 461.19817 207.0
[M-H]- 437.20167 199.8
[M+NH4]+ 456.24277 206.2
[M+K]+ 477.17211 197.2
[M+H-H2O]+ 421.20621 183.6
[M+HCOO]- 483.20715 202.9
[M+CH3COO]- 497.22280 204.5
[M+Na-2H]- 459.18362 200.6
[M]+ 438.20840 195.4
[M]- 438.20950 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.