CID 3088831

119464-17-4

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=C(C=C(C=C5)O)O)C6=CC=CC=C6N4
InChI
InChI=1S/C23H25N3O2/c27-14-8-9-17(20(28)13-14)23-25-11-4-3-7-19(25)22-21-16(10-12-26(22)23)15-5-1-2-6-18(15)24-21/h1-2,5-6,8-9,13,19,22-24,27-28H,3-4,7,10-12H2
InChIKey
IVCZNPQISGPEQA-UHFFFAOYSA-N
Compound name
4-(8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraen-9-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 192.2
[M+Na]+ 398.18389 205.3
[M+NH4]+ 393.22849 200.9
[M+K]+ 414.15783 201.0
[M-H]- 374.18739 195.7
[M+Na-2H]- 396.16934 193.9
[M]+ 375.19412 194.9
[M]- 375.19522 194.9
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

No patent data available for this compound.