CID 385371

Nsc676521

Structural Information

Molecular Formula
C16H15ClN4S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)N=[N+]=[N-])CCCCCl
InChI
InChI=1S/C16H15ClN4S/c17-9-3-4-10-21-13-5-1-2-6-15(13)22-16-11-12(19-20-18)7-8-14(16)21/h1-2,5-8,11H,3-4,9-10H2
InChIKey
SRQHPBCNYJVVDM-UHFFFAOYSA-N
Compound name
3-azido-10-(4-chlorobutyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0706 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07788 170.5
[M+Na]+ 353.05982 177.7
[M-H]- 329.06332 175.8
[M+NH4]+ 348.10442 186.4
[M+K]+ 369.03376 166.4
[M+H-H2O]+ 313.06786 166.7
[M+HCOO]- 375.06880 186.2
[M+CH3COO]- 389.08445 211.4
[M+Na-2H]- 351.04527 179.0
[M]+ 330.07005 172.3
[M]- 330.07115 172.3
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.