PubChemLite - 958261-51-3 (C41H65B2NO4)

Structural Information

Molecular Formula

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C(CCCCCCCC)CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C

InChI

InChI=1S/C41H65B2NO4/c1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43/h25-30,33H,11-24H2,1-10H3

InChIKey

XMKFCPVHTTWWCK-UHFFFAOYSA-N

Compound name

9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

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]+	658.51723	254.6
[M+Na]+	680.49917	264.3
[M+NH4]+	675.54377	264.6
[M+K]+	696.47311	255.0
[M-H]-	656.50267	263.5
[M+Na-2H]-	678.48462	257.7
[M]+	657.50940	259.4
[M]-	657.51050	259.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.51723

254.6

[M+Na]+

680.49917

264.3

[M+NH4]+

675.54377

264.6

[M+K]+

696.47311

255.0

[M-H]-

656.50267

263.5

[M+Na-2H]-

678.48462

257.7

[M]+

657.50940

259.4

[M]-

657.51050

259.4

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

958261-51-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe