PubChemLite - Hapalindole u (C21H24N2)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])C3=CNC4=CC=CC(=C43)C2(C)C)C=C

InChI

InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1

InChIKey

SLUFHMQYBPOTFZ-ZRRCRCOKSA-N

Compound name

(2S,3R,4R,7S)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.20122	174.6
[M+Na]+	327.18316	188.6
[M+NH4]+	322.22776	183.6
[M+K]+	343.15710	176.1
[M-H]-	303.18666	171.0
[M+Na-2H]-	325.16861	176.8
[M]+	304.19339	175.2
[M]-	304.19449	175.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.20122

174.6

[M+Na]+

327.18316

188.6

[M+NH4]+

322.22776

183.6

[M+K]+

343.15710

176.1

[M-H]-

303.18666

171.0

[M+Na-2H]-

325.16861

176.8

[M]+

304.19339

175.2

[M]-

304.19449

175.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hapalindole u

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe