CID 179332

Anisperimus

Structural Information

Molecular Formula
C18H39N7O3
SMILES
C[C@H](CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N
InChI
InChI=1S/C18H39N7O3/c1-15(19)8-13-22-9-6-7-12-25-18(27)28-14-16(26)23-10-4-2-3-5-11-24-17(20)21/h15,22H,2-14,19H2,1H3,(H,23,26)(H,25,27)(H4,20,21,24)/t15-/m1/s1
InChIKey
PZDPVSFZTKORSP-OAHLLOKOSA-N
Compound name
[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl] N-[4-[[(3R)-3-aminobutyl]amino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

327
Patents

401.31143 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.318706 197.0
[M+Na]+ 424.300648 193.7
[M-H]- 400.304154 195.2
[M+NH4]+ 419.345253 221.2
[M+K]+ 440.274588 193.9
[M+H-H2O]+ 384.308690 186.3
[M+HCOO]- 446.309631 217.8
[M+CH3COO]- 460.325281 244.8
[M+Na-2H]- 422.286096 193.2
[M]+ 401.31088142 195.0
[M]- 401.31197858 195.0
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

patents stripe