CID 15475957

71550-57-7

Structural Information

Molecular Formula
C27H22N6O2
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N=[N+]=[N-])C3=CC=C(C=C3)OC4=CC=C(C=C4)N=[N+]=[N-]
InChI
InChI=1S/C27H22N6O2/c1-27(2,19-3-11-23(12-4-19)34-25-15-7-21(8-16-25)30-32-28)20-5-13-24(14-6-20)35-26-17-9-22(10-18-26)31-33-29/h3-18H,1-2H3
InChIKey
HZBBDIQVVAFMMV-UHFFFAOYSA-N
Compound name
1-azido-4-[4-[2-[4-(4-azidophenoxy)phenyl]propan-2-yl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

462.18042 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18770 212.8
[M+Na]+ 485.16964 214.3
[M-H]- 461.17314 228.1
[M+NH4]+ 480.21424 218.8
[M+K]+ 501.14358 200.1
[M+H-H2O]+ 445.17768 206.8
[M+HCOO]- 507.17862 244.1
[M+CH3COO]- 521.19427 241.4
[M+Na-2H]- 483.15509 224.4
[M]+ 462.17987 209.5
[M]- 462.18097 209.5
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