CID 135515518

Ci 12251

Structural Information

Molecular Formula
C19H20N5O3
SMILES
C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC(=C(C=C3)N)[N+](=O)[O-])O
InChI
InChI=1S/C19H19N5O3/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-13-6-8-16(20)17(10-13)23(26)27/h4-11H,1-3H3,(H2-,20,21,22,25)/p+1
InChIKey
DBAWZPPRBUSGPX-UHFFFAOYSA-O
Compound name
[8-[(4-amino-3-nitrophenyl)diazenyl]-7-hydroxynaphthalen-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

5085
Patents

366.15662 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16390 180.6
[M+Na]+ 389.14584 185.9
[M-H]- 365.14934 190.5
[M+NH4]+ 384.19044 192.6
[M+K]+ 405.11978 173.3
[M+H-H2O]+ 349.15388 178.1
[M+HCOO]- 411.15482 207.5
[M+CH3COO]- 425.17047 219.8
[M+Na-2H]- 387.13129 192.5
[M]+ 366.15607 178.9
[M]- 366.15717 178.9
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