CID 503948

M40401

Structural Information

Molecular Formula
C23H39N5
SMILES
C[C@H]1C2=NC(=CC=C2)[C@@H](N[C@@H]3CCCC[C@H]3NCCN[C@@H]4CCCC[C@H]4N1)C
InChI
InChI=1S/C23H39N5/c1-16-18-12-7-13-19(28-18)17(2)27-23-11-6-4-9-21(23)25-15-14-24-20-8-3-5-10-22(20)26-16/h7,12-13,16-17,20-27H,3-6,8-11,14-15H2,1-2H3/t16-,17-,20+,21+,22+,23+/m0/s1
InChIKey
KTPFAQJXCSBAHF-RRJVNCKPSA-N
Compound name
(2S,4R,9R,14R,19R,21S)-2,21-dimethyl-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

8
Patents

385.32056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.32784 198.7
[M+Na]+ 408.30978 207.4
[M+NH4]+ 403.35438 204.2
[M+K]+ 424.28372 199.8
[M-H]- 384.31328 198.8
[M+Na-2H]- 406.29523 197.3
[M]+ 385.32001 199.2
[M]- 385.32111 199.2
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