CID 3046314

61981-83-7

Structural Information

Molecular Formula
C25H26N4S
SMILES
CC(CNCCN1C=NC2=CC=CC=C21)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C25H26N4S/c1-19(16-26-14-15-28-18-27-20-8-2-3-9-21(20)28)17-29-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)29/h2-13,18-19,26H,14-17H2,1H3
InChIKey
IALWTBSLCPELKG-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19508 196.4
[M+Na]+ 437.17702 204.2
[M-H]- 413.18052 201.1
[M+NH4]+ 432.22162 207.7
[M+K]+ 453.15096 195.6
[M+H-H2O]+ 397.18506 186.1
[M+HCOO]- 459.18600 208.4
[M+CH3COO]- 473.20165 204.5
[M+Na-2H]- 435.16247 200.2
[M]+ 414.18725 200.0
[M]- 414.18835 200.0
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.