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]+ 340.15904 173.3
[M+Na]+ 362.14098 178.4
[M-H]- 338.14448 179.9
[M+NH4]+ 357.18558 188.3
[M+K]+ 378.11492 169.1
[M+H-H2O]+ 322.14902 167.8
[M+HCOO]- 384.14996 194.4
[M+CH3COO]- 398.16561 221.8
[M+Na-2H]- 360.12643 182.0
[M]+ 339.15121 174.1
[M]- 339.15231 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.