CID 147518127

Triptycene-1,4-diamine

Structural Information

Molecular Formula
C20H16N2
SMILES
C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C(C=CC(=C35)N)N
InChI
InChI=1S/C20H16N2/c21-15-9-10-16(22)20-18-12-6-2-1-5-11(12)17(19(15)20)13-7-3-4-8-14(13)18/h1-10,17-18H,21-22H2
InChIKey
FKPXHXZBABWVAX-UHFFFAOYSA-N
Compound name
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13135 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 162.0
[M+Na]+ 307.12057 168.7
[M-H]- 283.12407 166.6
[M+NH4]+ 302.16517 181.6
[M+K]+ 323.09451 162.2
[M+H-H2O]+ 267.12861 152.8
[M+HCOO]- 329.12955 177.3
[M+CH3COO]- 343.14520 172.3
[M+Na-2H]- 305.10602 171.6
[M]+ 284.13080 161.3
[M]- 284.13190 161.3
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.