CID 18985873

Alkaline phosphatase

Structural Information

Molecular Formula
C21H36N8O6
SMILES
CC(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)N
InChI
InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)
InChIKey
ITZMJCSORYKOSI-UHFFFAOYSA-N
Compound name
2-[[1-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

58049
References

7745
Patents

496.2758 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.28308 211.9
[M+Na]+ 519.26502 206.2
[M-H]- 495.26852 213.7
[M+NH4]+ 514.30962 215.8
[M+K]+ 535.23896 208.8
[M+H-H2O]+ 479.27306 202.2
[M+HCOO]- 541.27400 226.1
[M+CH3COO]- 555.28965 255.3
[M+Na-2H]- 517.25047 242.3
[M]+ 496.27525 203.2
[M]- 496.27635 203.2
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.