CID 135423620

Cresyl violet 670 perchlorate

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C2C(=C1)C(=CC3=C2N=C4C=CC(=N)C=C4O3)N
InChI
InChI=1S/C16H11N3O/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13/h1-8,17H,18H2
InChIKey
QSFBNJFFCSWAQO-UHFFFAOYSA-N
Compound name
9-iminobenzo[a]phenoxazin-5-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

294
References

130
Patents

261.0902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 155.2
[M+Na]+ 284.07942 167.2
[M-H]- 260.08292 161.6
[M+NH4]+ 279.12402 171.9
[M+K]+ 300.05336 161.6
[M+H-H2O]+ 244.08746 146.6
[M+HCOO]- 306.08840 177.5
[M+CH3COO]- 320.10405 168.2
[M+Na-2H]- 282.06487 167.7
[M]+ 261.08965 156.4
[M]- 261.09075 156.4
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

patents stripe