CID 385932

Nsc677394

Structural Information

Molecular Formula
C18H21N5S
SMILES
CN(C)CCCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=CC=CC=C31
InChI
InChI=1S/C18H21N5S/c1-22(2)11-5-6-12-23-15-7-3-4-8-17(15)24-18-13-14(20-21-19)9-10-16(18)23/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey
IRQKWMAJELYILG-UHFFFAOYSA-N
Compound name
4-(3-azidophenothiazin-10-yl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.15176 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.159036 173.3
[M+Na]+ 362.140978 178.4
[M-H]- 338.144484 179.9
[M+NH4]+ 357.185583 188.3
[M+K]+ 378.114918 169.1
[M+H-H2O]+ 322.149020 167.8
[M+HCOO]- 384.149961 194.4
[M+CH3COO]- 398.165611 221.8
[M+Na-2H]- 360.126426 182.0
[M]+ 339.15121142 174.1
[M]- 339.15230858 174.1
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.