CID 499437

Nsc676961

Structural Information

Molecular Formula
C21H26N6S
SMILES
CN1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42
InChI
InChI=1S/C21H26N6S/c1-25-12-14-26(15-13-25)10-4-5-11-27-18-6-2-3-7-20(18)28-21-16-17(23-24-22)8-9-19(21)27/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKey
VLSRHRDRUUDTCU-UHFFFAOYSA-N
Compound name
3-azido-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.19397 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20125 189.0
[M+Na]+ 417.18319 192.6
[M-H]- 393.18669 193.7
[M+NH4]+ 412.22779 198.2
[M+K]+ 433.15713 180.8
[M+H-H2O]+ 377.19123 181.1
[M+HCOO]- 439.19217 202.3
[M+CH3COO]- 453.20782 226.0
[M+Na-2H]- 415.16864 195.8
[M]+ 394.19342 184.6
[M]- 394.19452 184.6
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.