CID 462361

Indulin scarlet

Structural Information

Molecular Formula
C19H18N3
SMILES
CC[N+]1=C2C=C(C3=CC=CC=C3C2=NC4=C1C=CC(=C4)C)N
InChI
InChI=1S/C19H17N3/c1-3-22-17-9-8-12(2)10-16(17)21-19-14-7-5-4-6-13(14)15(20)11-18(19)22/h4-11,20H,3H2,1-2H3/p+1
InChIKey
MBLGMXIVCTWLSW-UHFFFAOYSA-O
Compound name
7-ethyl-10-methylbenzo[a]phenazin-7-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

288.1501 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15738 170.9
[M+Na]+ 311.13932 182.2
[M-H]- 287.14282 175.1
[M+NH4]+ 306.18392 186.7
[M+K]+ 327.11326 169.3
[M+H-H2O]+ 271.14736 163.9
[M+HCOO]- 333.14830 189.8
[M+CH3COO]- 347.16395 182.1
[M+Na-2H]- 309.12477 181.9
[M]+ 288.14955 171.8
[M]- 288.15065 171.8
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.