CID 2794493

181139-49-1

Structural Information

Molecular Formula
C16H16N2
SMILES
C1=CC=C2C3[C@H]([C@@H](C(C2=C1)C4=CC=CC=C34)N)N
InChI
InChI=1S/C16H16N2/c17-15-13-9-5-1-2-6-10(9)14(16(15)18)12-8-4-3-7-11(12)13/h1-8,13-16H,17-18H2/t13?,14?,15-,16-/m1/s1
InChIKey
NWDYSRZJOLDMRE-QDIHITRGSA-N
Compound name
(15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

236.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 149.6
[M+Na]+ 259.12057 155.6
[M-H]- 235.12407 151.5
[M+NH4]+ 254.16517 171.3
[M+K]+ 275.09451 150.4
[M+H-H2O]+ 219.12861 142.4
[M+HCOO]- 281.12955 164.4
[M+CH3COO]- 295.14520 160.3
[M+Na-2H]- 257.10602 159.5
[M]+ 236.13080 148.0
[M]- 236.13190 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe