CID 92002593

Ibritumomab

Structural Information

Molecular Formula
C24H35N5O11
SMILES
CC(CN(CC(CC1=CC=C(C=C1)NC(=O)NC)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C24H35N5O11/c1-15(28(11-20(32)33)12-21(34)35)8-27(10-19(30)31)9-18(29(13-22(36)37)14-23(38)39)7-16-3-5-17(6-4-16)26-24(40)25-2/h3-6,15,18H,7-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H2,25,26,40)
InChIKey
RTQWWZBSTRGEAV-UHFFFAOYSA-N
Compound name
2-[[2-[bis(carboxymethyl)amino]-3-[4-(methylcarbamoylamino)phenyl]propyl]-[2-[bis(carboxymethyl)amino]propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

569.23334 Da
Monoisotopic Mass

-7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.24062 220.3
[M+Na]+ 592.22256 235.2
[M-H]- 568.22606 238.7
[M+NH4]+ 587.26716 233.2
[M+K]+ 608.19650 226.6
[M+H-H2O]+ 552.23060 222.3
[M+HCOO]- 614.23154 205.0
[M+CH3COO]- 628.24719 267.4
[M+Na-2H]- 590.20801 263.0
[M]+ 569.23279 210.1
[M]- 569.23389 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.