CID 17849370

Palmitamidobutyl guanidine acetate

Structural Information

Molecular Formula
C21H44N4O
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCCN=C(N)N
InChI
InChI=1S/C21H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(26)24-18-15-16-19-25-21(22)23/h2-19H2,1H3,(H,24,26)(H4,22,23,25)
InChIKey
YUHHYXSTJDQMJF-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)butyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

368.3515 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.35878 200.6
[M+Na]+ 391.34072 198.7
[M-H]- 367.34422 198.4
[M+NH4]+ 386.38532 211.8
[M+K]+ 407.31466 195.3
[M+H-H2O]+ 351.34876 191.2
[M+HCOO]- 413.34970 222.3
[M+CH3COO]- 427.36535 234.1
[M+Na-2H]- 389.32617 196.8
[M]+ 368.35095 202.6
[M]- 368.35205 202.6
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

patents stripe