CID 129903227

(2s,5s,7s,10s,11e,14s,15e)-5-(1h-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),8,11,15,18-pentaene-3,17-dione

Structural Information

Molecular Formula
C32H35N3O2
SMILES
C[C@H]\1C/C=C/[C@H]2C=C([C@H](C3[C@@]2(C4=CC=C(N4)C(=O)/C(=C1)/C)C(=O)N[C@H]3CC5=CNC6=CC=CC=C65)C)C
InChI
InChI=1S/C32H35N3O2/c1-18-8-7-9-23-15-19(2)21(4)29-27(16-22-17-33-25-11-6-5-10-24(22)25)35-31(37)32(23,29)28-13-12-26(34-28)30(36)20(3)14-18/h5-7,9-15,17-18,21,23,27,29,33-34H,8,16H2,1-4H3,(H,35,37)/b9-7+,20-14+/t18-,21+,23-,27-,29?,32+/m0/s1
InChIKey
XJNCIAFVQZHWHH-VAQZMXDASA-N
Compound name
(2S,5S,7S,10S,11E,14S,15E)-5-(1H-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),8,11,15,18-pentaene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.27292 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.28020 219.8
[M+Na]+ 516.26214 227.9
[M-H]- 492.26564 222.0
[M+NH4]+ 511.30674 230.4
[M+K]+ 532.23608 219.0
[M+H-H2O]+ 476.27018 215.2
[M+HCOO]- 538.27112 227.3
[M+CH3COO]- 552.28677 225.3
[M+Na-2H]- 514.24759 211.6
[M]+ 493.27237 216.2
[M]- 493.27347 216.2
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

No patent data available for this compound.