CID 135494886

Nsc697120

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC1=C(C(=C(C2=NC3=CC=CC=C3N=C12)C(C)CCC=C(C)C)O)O
InChI
InChI=1S/C21H24N2O2/c1-12(2)8-7-9-13(3)17-19-18(14(4)20(24)21(17)25)22-15-10-5-6-11-16(15)23-19/h5-6,8,10-11,13,24-25H,7,9H2,1-4H3
InChIKey
DLURXLKBFFIUFB-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylhept-5-en-2-yl)phenazine-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 184.2
[M+Na]+ 359.17300 193.3
[M-H]- 335.17650 184.8
[M+NH4]+ 354.21760 196.6
[M+K]+ 375.14694 186.6
[M+H-H2O]+ 319.18104 175.8
[M+HCOO]- 381.18198 198.4
[M+CH3COO]- 395.19763 213.0
[M+Na-2H]- 357.15845 186.4
[M]+ 336.18323 187.3
[M]- 336.18433 187.3
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.