CID 3025443

Brn 0046861

Structural Information

Molecular Formula
C23H31N3S
SMILES
CCCCN1CCN(CC1)C(C)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C23H31N3S/c1-3-4-13-24-14-16-25(17-15-24)19(2)18-26-20-9-5-7-11-22(20)27-23-12-8-6-10-21(23)26/h5-12,19H,3-4,13-18H2,1-2H3
InChIKey
VPMKEHWHZVJFQX-UHFFFAOYSA-N
Compound name
10-[2-(4-butylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.22388 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23116 192.4
[M+Na]+ 404.21310 196.4
[M-H]- 380.21660 194.2
[M+NH4]+ 399.25770 202.2
[M+K]+ 420.18704 189.1
[M+H-H2O]+ 364.22114 181.3
[M+HCOO]- 426.22208 197.5
[M+CH3COO]- 440.23773 198.7
[M+Na-2H]- 402.19855 192.3
[M]+ 381.22333 190.4
[M]- 381.22443 190.4
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.