PubChemLite - 122003-11-6 (C30H44N6O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C(CCC(O2)(C)CN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C(=C1O)C)C

InChI

InChI=1S/C30H44N6O2/c1-21-22(2)28-24(23(3)27(21)37)9-10-30(4,38-28)20-33-15-17-35(18-16-33)26-19-25(34-11-5-6-12-34)31-29(32-26)36-13-7-8-14-36/h19,37H,5-18,20H2,1-4H3

InChIKey

KPZQRBACZSLMPH-UHFFFAOYSA-N

Compound name

2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

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]+	521.35988	233.0
[M+Na]+	543.34182	244.6
[M+NH4]+	538.38642	239.3
[M+K]+	559.31576	239.7
[M-H]-	519.34532	240.0
[M+Na-2H]-	541.32727	236.9
[M]+	520.35205	236.6
[M]-	520.35315	236.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.35988

233.0

[M+Na]+

543.34182

244.6

[M+NH4]+

538.38642

239.3

[M+K]+

559.31576

239.7

[M-H]-

519.34532

240.0

[M+Na-2H]-

541.32727

236.9

[M]+

520.35205

236.6

[M]-

520.35315

236.6

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

122003-11-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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